 | | UGN | | Name: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine | | Formula: | C15 H24 N2 O2 S | | SMILES: | CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3 | | Definition date: | 2021-02-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
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 | | UGQ | | Name: | 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline | | Formula: | C16 H17 N O2 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2 | | InChi: | InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3 | | Definition date: | 2021-02-17 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline |
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 | | UVB | | Name: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C12 H15 N O4 S | | SMILES: | O[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H15NO4S/c14-9-10-3-5-12(6-4-10)18(16,17)13-7-1-2-11(15)8-13/h3-6,9,11,15H,1-2,7-8H2/t11-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde |
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 | | UVE | | Name: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde | | Formula: | C15 H13 N O4 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 | | InChi: | InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
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 | | UHN | | Name: | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde | | Formula: | C16 H22 N2 O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCCC3 | | InChi: | InChI=1S/C16H22N2O3S/c19-13-14-3-5-16(6-4-14)22(20,21)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-6,13,15H,1-2,7-12H2 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde |
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 | | UVH | | Name: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O3 S | | SMILES: | CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
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 | | UHQ | | Name: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O3 S | | SMILES: | CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
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 | | UVK | | Name: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | | Formula: | C15 H12 F N O4 S | | SMILES: | Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | | UVN | | Name: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde | | Formula: | C11 H12 N2 O4 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 | | InChi: | InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15) | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
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 | | UHT | | Name: | ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide | | Formula: | C14 H19 N O3 S | | SMILES: | CN(C1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H19NO3S/c1-15(13-5-3-2-4-6-13)19(17,18)14-9-7-12(11-16)8-10-14/h7-11,13H,2-6H2,1H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide |
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 | | UVQ | | Name: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 F N O3 S | | SMILES: | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | UHW | | Name: | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde | | Formula: | C12 H16 N2 O3 S | | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 | | Definition date: | 2021-02-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
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 | | UVT | | Name: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde | | Formula: | C12 H15 N O3 S | | SMILES: | C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde |
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 | | UVZ | | Name: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 Cl N O3 S | | SMILES: | Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | X5M | | Name: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one | | Formula: | C15 H21 N4 O3 | | SMILES: | CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C | | InChi: | InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1 | | Definition date: | 2020-12-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one |
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 | | UWH | | Name: | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde | | Formula: | C14 H20 N2 O4 S | | SMILES: | COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3 | | Definition date: | 2021-03-23 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde |
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 | | UWK | | Name: | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde | | Formula: | C13 H17 N O4 S | | SMILES: | CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1 | | Definition date: | 2021-03-24 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde |
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 | | UWQ | | Name: | 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde | | Formula: | C13 H17 N O4 S | | SMILES: | COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3 | | Definition date: | 2021-03-24 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde |
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 | | W6X | | Name: | 1,1,1-tris(fluoranyl)propan-2-one | | Formula: | C3 H3 F3 O | | SMILES: | CC(=O)C(F)(F)F | | InChi: | InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 | | Definition date: | 2020-06-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1,1,1-tris(fluoranyl)propan-2-one |
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 | | W6Z | | Name: | 1,1,1-tris(fluoranyl)propane-2,2-diol | | Formula: | C3 H5 F3 O2 | | SMILES: | CC(O)(O)C(F)(F)F | | InChi: | InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3 | | Definition date: | 2020-06-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1,1,1-tris(fluoranyl)propane-2,2-diol |
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 | | Q5Q | | Name: | 3,6-dibromo-1-(hydroxymethyl)carbazole | | Formula: | C13 H9 Br2 N O | | SMILES: | Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1 | | InChi: | InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3 | | Synonyms: | 3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol | | Definition date: | 2020-05-18 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol |
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 | | QBZ | | Name: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz
ol-1-yl)butanoic acid | | Formula: | C10 H13 N4 O6 S | | SMILES: | C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O | | InChi: | InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1 | | Synonyms: | Tazobactam imine intermediate | | Definition date: | 2020-06-04 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid |
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 | | QRE | | Name: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid | | Formula: | C27 H26 N2 O7 S | | SMILES: | OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O | | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid |
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 | | QRH | | Name: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide | | Formula: | C36 H38 N O3 P | | SMILES: | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4 | | InChi: | InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+ | | Definition date: | 2020-07-29 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
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 | | S5K | | Name: | [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid | | Formula: | C17 H20 B N O5 | | SMILES: | OB(O)[CH](Cc1coc2ccccc12)NC(=O)[CH]3C[CH]4CC[CH]3O4 | | InChi: | InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1 | | Synonyms: | [(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid | | Definition date: | 2020-11-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | [(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid |
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