 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | UXN | | Name: | 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide | | Formula: | C13 H17 N O4 S | | SMILES: | CN(C1CCOCC1)[S](=O)(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3 | | Synonyms: | 4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide | | Definition date: | 2021-03-25 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide |
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 | | UYG | | Name: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione | | Formula: | C16 H19 N3 O2 | | SMILES: | c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23 | | InChi: | InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione |
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 | | UYM | | Name: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione | | Formula: | C22 H20 N4 O2 | | SMILES: | n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5 | | InChi: | InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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 | | UZS | | Name: | N-hydroxy-7-sulfanylheptanamide | | Formula: | C7 H15 N O2 S | | SMILES: | ONC(CCCCCCS)=O | | InChi: | InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9) | | Definition date: | 2020-06-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | N-hydroxy-7-sulfanylheptanamide |
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 | | V0A | | Name: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione | | Formula: | C22 H27 N O5 | | SMILES: | C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C | | InChi: | InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1 | | Synonyms: | Tirandamycin C | | Definition date: | 2020-06-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione |
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 | | V0Q | | Name: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol | | Formula: | C13 H20 N2 O3 S | | SMILES: | CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2 | | InChi: | InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3 | | Definition date: | 2021-04-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol |
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 | | V0T | | Name: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol | | Formula: | C12 H17 N O4 S | | SMILES: | OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2 | | InChi: | InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2 | | Definition date: | 2021-04-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol |
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 | | V0W | | Name: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane | | Formula: | C13 H20 N2 O2 S | | SMILES: | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3 | | Definition date: | 2021-04-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
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 | | V1E | | Name: | ~{N},~{N},4-trimethylbenzenesulfonamide | | Formula: | C9 H13 N O2 S | | SMILES: | CN(C)[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | ~{N},~{N},4-trimethylbenzenesulfonamide |
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 | | V1H | | Name: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine | | Formula: | C11 H15 N O3 S | | SMILES: | COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine |
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 | | V1K | | Name: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole | | Formula: | C15 H13 Cl N2 O3 S | | SMILES: | COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3 | | InChi: | InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
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 | | V1Q | | Name: | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide | | Formula: | C11 H13 N3 O2 S | | SMILES: | Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1 | | InChi: | InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13) | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide |
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 | | V2E | | Name: | 3-morpholin-4-yl-4-nitro-benzaldehyde | | Formula: | C11 H12 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 | | InChi: | InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3-morpholin-4-yl-4-nitro-benzaldehyde |
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 | | V2K | | Name: | 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde | | Formula: | C16 H14 N2 O2 | | SMILES: | COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
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 | | V2N | | Name: | 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde | | Formula: | C16 H14 N2 O2 | | SMILES: | COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1 | | InChi: | InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
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