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TWQ

TWQ
Name:	3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
Formula:	C13 H16 N2 O4
SMILES:	CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:	InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1
Definition date:	2021-01-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde

TZH

TZH
Name:	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
Formula:	C12 H14 N O4
SMILES:	Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O
InChi:	InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1
Definition date:	2021-01-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium

TZW

TZW
Name:	4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
Formula:	C12 H14 N2 O4
SMILES:	OC1CCN(CC1)c2cc(C=O)ccc2[N](=O)=O
InChi:	InChI=1S/C12H14N2O4/c15-8-9-1-2-11(14(17)18)12(7-9)13-5-3-10(16)4-6-13/h1-2,7-8,10,16H,3-6H2
Definition date:	2021-01-15
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde

U1B

U1B
Name:	4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde
Formula:	C12 H14 N2 O4
SMILES:	O[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:	InChI=1S/C12H14N2O4/c15-8-9-3-4-11(14(17)18)12(6-9)13-5-1-2-10(16)7-13/h3-4,6,8,10,16H,1-2,5,7H2/t10-/m0/s1
Synonyms:	4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde
Definition date:	2021-01-17
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-nitro-3-[(3~{S})-3-oxidanylpiperidin-1-yl]benzaldehyde

UG8

UG8
Name:	4-piperidin-1-ylsulfonylbenzaldehyde
Formula:	C12 H15 N O3 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2
InChi:	InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
Definition date:	2021-02-16
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-piperidin-1-ylsulfonylbenzaldehyde

UGE

UGE
Name:	4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
Formula:	C16 H15 N O3 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
InChi:	InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2
Definition date:	2021-02-16
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde

UGN

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

UGQ

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

UHN

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

UHQ

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

UHT

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

UHW

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

UON

UON
Name:	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:	C15 H11 Cl N2 O2
SMILES:	COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:	2021-03-03
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde

UOT

UOT
Name:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
Formula:	C15 H11 Cl N2 O2
SMILES:	COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
Definition date:	2021-03-03
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde

06M

06M
Name:	6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Formula:	C26 H25 N7 O2 S
SMILES:	CS(=N)(=O)C1(CC1)c1cc(nc(n1)c1ccnc2[NH]ccc21)C1=CN(CCC=C)C(=O)c2[NH]ccc12
InChi:	InChI=1S/C26H25N7O2S/c1-3-4-13-33-15-19(16-5-10-28-22(16)25(33)34)20-14-21(26(8-9-26)36(2,27)35)32-24(31-20)18-7-12-30-23-17(18)6-11-29-23/h3,5-7,10-12,14-15,27-28H,1,4,8-9,13H2,2H3,(H,29,30)/t36-/m1/s1
Definition date:	2021-06-03
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

S5K

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

S9E

S9E
Name:	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
Formula:	C9 H6 Br N3 O
SMILES:	Brc1nccn1c2ccc(C=O)cn2
InChi:	InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H
Definition date:	2020-11-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde

TG8

TG8
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Formula:	C18 H22 N6 O11 P2
SMILES:	CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
Definition date:	2020-12-22
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate

TGB

TGB
Name:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
Formula:	C18 H23 N6 O13 P3 S
SMILES:	CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C18H23N6O13P3S/c1-20-10-5-3-2-4-9(10)18(26)35-14-11(6-33-38(27,28)36-39(29,30)37-40(31,32)41)34-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,27,28)(H,29,30)(H2,19,21,22)(H2,31,32,41)/t11-,13-,14-,17-/m1/s1
Definition date:	2020-12-22
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid

W6X

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

W6Z

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

UST

UST
Name:	4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
Formula:	C15 H13 N O3 S
SMILES:	O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
InChi:	InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2
Definition date:	2021-03-15
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde

USW

USW
Name:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C15 H12 Cl N O4 S
SMILES:	Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
Definition date:	2021-03-15
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

UT8

UT8
Name:	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C16 H15 N O5 S
SMILES:	COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3
Definition date:	2021-03-17
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

UVB

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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