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E65

E65
Name:	4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C14 H15 N3 O3 S2
SMILES:	O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2
InChi:	InChI=1S/C14H15N3O3S2/c1-9-7-10(2)17-14(16-9)21-8-13(18)11-3-5-12(6-4-11)22(15,19)20/h3-7H,8H2,1-2H3,(H2,15,19,20)
Definition date:	2011-06-10
Last modified:	2012-04-06
Identifier:	4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E90

E90
Name:	4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:	C12 H11 N3 O3 S2
SMILES:	O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2
InChi:	InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)
Definition date:	2011-06-10
Last modified:	2012-04-06
Identifier:	4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide

0FZ

0FZ
Name:	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Formula:	C16 H16 N2 O3 S
SMILES:	O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3
InChi:	InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20)
Definition date:	2012-01-05
Last modified:	2012-03-30
Identifier:	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

0KS

0KS
Name:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
Formula:	C16 H13 F6 N O3 S
SMILES:	O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2
InChi:	InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide

0KT

0KT
Name:	N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
Formula:	C22 H23 F3 N2 O4 S
SMILES:	O=S(=O)(c1ccccc1)N(c2ccc(cc2)C(O)(c3cccn3CCOC)C(F)(F)F)C
InChi:	InChI=1S/C22H23F3N2O4S/c1-26(32(29,30)19-7-4-3-5-8-19)18-12-10-17(11-13-18)21(28,22(23,24)25)20-9-6-14-27(20)15-16-31-2/h3-14,28H,15-16H2,1-2H3/t21-/m0/s1
Definition date:	2012-02-06
Last modified:	2012-03-16
Identifier:	N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide

MSY

MSY
Name:	3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
Formula:	C10 H11 N3 O3 S
SMILES:	O=S(=O)(c1cccc(c1)N2N=C(CC2=O)C)N
InChi:	InChI=1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)
Definition date:	2011-04-01
Last modified:	2012-03-16
Identifier:	3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide

XTZ

XTZ
Name:	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Formula:	C16 H16 N8 O3 S2
SMILES:	O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4
InChi:	InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25)
Definition date:	2011-10-14
Last modified:	2012-03-09
Identifier:	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

UWN

UWN
Name:	[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
Formula:	C32 H43 N5 O2
SMILES:	O=C(N2CCC(N1CCCC1)CC2)c4ccc(c(Nc3ccccc3)c4)C(=O)N6CCC(N5CCCC5)CC6
InChi:	InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
Definition date:	2011-12-05
Last modified:	2012-03-02
Identifier:	[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}

IE2

IE2
Name:	4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide
Formula:	C16 H14 N4 O2 S2
SMILES:	O=S(=O)(N)c4ccc(n3ncc2c3c1c(nc(cc1)C)SC2)cc4
InChi:	InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
Definition date:	2011-03-10
Last modified:	2012-03-02
Identifier:	4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide

RCS

RCS
Name:	triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I)
Formula:	C16 H13 N2 O6 Re S
SMILES:	N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]\|4\|5\|6(\|[C-]#[O+])(\|[C-]#[O+])(\|[C-]#[O+])\|C(=C2\|4)C\|5=C3\|6)cc1
InChi:	InChI=1S/C13H13N2O3S.3CO.Re/c14-19(17,18)12-7-5-10(6-8-12)9-15-13(16)11-3-1-2-4-11
Definition date:	2011-04-26
Last modified:	2012-02-24

ZBR

ZBR
Name:	1,3,5-tris(bromomethyl)benzene
Formula:	C9 H9 Br3
SMILES:	BrCc1cc(cc(c1)CBr)CBr
InChi:	InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
Definition date:	2011-02-16
Last modified:	2012-02-10
Identifier:	1,3,5-tris(bromomethyl)benzene

NIN

NIN
Name:	DINITROPHENYLENE
Formula:	C6 H4 N2 O4
SMILES:	O=[N+]([O-])c1cccc([N+]([O-])=O)c1
InChi:	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
Definition date:	2001-01-26
Last modified:	2012-01-25
Identifier:	1,3-dinitrobenzene

4OS

4OS
Name:	4-methoxybenzenesulfonic acid
Formula:	C7 H8 O4 S
SMILES:	O=S(=O)(O)c1ccc(OC)cc1
InChi:	InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10)
Definition date:	2011-06-06
Last modified:	2012-01-13
Identifier:	4-methoxybenzenesulfonic acid

00T

00T
Name:	(4-chlorobenzene-1,2-diyl)dimethanamine
Formula:	C8 H11 Cl N2
SMILES:	Clc1cc(c(cc1)CN)CN
InChi:	InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2
Definition date:	2010-11-12
Last modified:	2012-01-13
Identifier:	(4-chlorobenzene-1,2-diyl)dimethanamine

025

025
Name:	3-(trifluoromethyl)benzenesulfonic acid
Formula:	C7 H5 F3 O3 S
SMILES:	FC(F)(F)c1cc(ccc1)S(=O)(=O)O
InChi:	InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13)
Definition date:	2011-02-25
Last modified:	2012-01-13
Identifier:	3-(trifluoromethyl)benzenesulfonic acid

02B

02B
Name:	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
Formula:	C10 H14 O4 S
SMILES:	O=S(=O)(O)c1c(c(c(OC)cc1C)C)C
InChi:	InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13)
Definition date:	2011-02-25
Last modified:	2012-01-13
Identifier:	4-methoxy-2,3,6-trimethylbenzenesulfonic acid

TOS

TOS
Name:	P-SULFINOTOLUENE
Formula:	C7 H8 O2 S
SMILES:	O=S(O)c1ccc(cc1)C
InChi:	InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	4-methylbenzenesulfinic acid

5X
Name:	5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:	C19 H18 N2 O3 S3
SMILES:	O=S(=O)(NN1C(=O)C(SC1=S)CC(=Cc2ccccc2)C)c3ccccc3
InChi:	InChI=1S/C19H18N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3/b14-12+/t17-/m1/s1
Definition date:	2005-09-22
Last modified:	2012-01-05
Identifier:	N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide

12T

12T
Name:	2-aminobenzene-1,4-dicarboxylic acid
Formula:	C8 H7 N O4
SMILES:	O=C(O)c1cc(N)c(C(=O)O)cc1
InChi:	InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
Definition date:	2010-12-14
Last modified:	2011-12-30
Identifier:	2-aminobenzene-1,4-dicarboxylic acid

3TD

3TD
Name:	(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Formula:	C10 H15 N2 O9 P
SMILES:	O=C1NC=C(C(=O)N1C)C2OC(COP(=O)(O)O)C(O)C2O
InChi:	InChI=1S/C10H15N2O9P/c1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
Definition date:	2011-01-18
Last modified:	2011-12-14
Identifier:	(1S)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol

LXV

LXV
Name:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
Formula:	C12 H15 Br2 N3 O2 S
SMILES:	Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C
InChi:	InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1
Definition date:	2010-11-02
Last modified:	2011-10-21
Identifier:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

M06

M06
Name:	3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
Formula:	C20 H14 Cl N5 O2
SMILES:	N#Cc4cc(OC1=C(C=CN(C1=O)Cc2c3cccnc3nn2)C)cc(Cl)c4
InChi:	InChI=1S/C20H14ClN5O2/c1-12-4-6-26(11-17-16-3-2-5-23-19(16)25-24-17)20(27)18(12)28-15-8-13(10-22)7-14(21)9-15/h2-9H,11H2,1H3,(H,23,24,25)
Definition date:	2011-08-09
Last modified:	2011-10-21
Identifier:	3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile

YJW

YJW
Name:	4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL
Formula:	C16 H13 N O3
SMILES:	Oc3cc(O)c(c1noc(c1c2ccccc2)C)cc3
InChi:	InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3
Definition date:	2011-05-24
Last modified:	2011-10-14
Identifier:	4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol

FBF

FBF
Name:	4-(trifluoromethyl)benzenecarboximidamide
Formula:	C8 H7 F3 N2
SMILES:	FC(F)(F)c1ccc(C(=[N@H])N)cc1
InChi:	InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
Definition date:	2010-10-26
Last modified:	2011-10-14
Identifier:	4-(trifluoromethyl)benzenecarboximidamide

D04

D04
Name:	4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
Formula:	C14 H14 F4 N4 O2 S
SMILES:	O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C3CCCCC3)N
InChi:	InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
Definition date:	2010-10-05
Last modified:	2011-10-14
Identifier:	4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide

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