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W3H

W3H
Name:	(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid
Formula:	C10 H11 Cl O4 S
SMILES:	O=S(=O)(c1ccc(Cl)cc1)C(C)CC(=O)O
InChi:	InChI=1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid

U2U

U2U
Name:	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide
Formula:	C23 H21 N3 O4 S
SMILES:	COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1
InChi:	InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
Definition date:	2022-08-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide

O2L

O2L
Name:	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
Formula:	C17 H16 F4 N2 O4 S
SMILES:	Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C
InChi:	InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
Definition date:	2022-04-17
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide

KF9

KF9
Name:	3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile
Formula:	C21 H11 F2 N5 O3
SMILES:	N#Cc1cc(ccc1)n1nccc1C1=NN(C=CC1=O)c1cccc2OC(F)(F)Oc12
InChi:	InChI=1S/C21H11F2N5O3/c22-21(23)30-18-6-2-5-16(20(18)31-21)27-10-8-17(29)19(26-27)15-7-9-25-28(15)14-4-1-3-13(11-14)12-24/h1-11H
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile

JRX

JRX
Name:	2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline
Formula:	C21 H24 N4 O2 S
SMILES:	O=S(=O)(c1ccc(C)cc1)N1CCN(CC1)c1nc2ccccc2nc1CC
InChi:	InChI=1S/C21H24N4O2S/c1-3-18-21(23-20-7-5-4-6-19(20)22-18)24-12-14-25(15-13-24)28(26,27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline

2KW

2KW
Name:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
Formula:	C17 H11 Cl F3 N5 O3
SMILES:	FC(F)(F)C2=C(Oc1cc(C#N)cc(Cl)c1)C(=O)N(C=C2)CC3=NNC(=O)N3C
InChi:	InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
Synonyms:	Doravirine
Definition date:	2013-11-21
Last modified:	2022-10-03
Release date:	2014-02-12
Identifier:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile

72Q

72Q
Name:	3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Formula:	C17 H12 F3 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O
InChi:	InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Synonyms:	Belzutifan
Definition date:	2016-08-17
Last modified:	2022-09-28
Release date:	2016-08-31
Identifier:	3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile

UQO

UQO
Name:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22-/m0/s1
Definition date:	2022-08-23
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

WJB

WJB
Name:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-16
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

7VE

7VE
Name:	4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide
Formula:	C31 H30 N5 O7 S
SMILES:	COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn6cc(COc7ccc(cc7)[S](N)(=O)=O)nn6
InChi:	InChI=1S/C31H30N5O7S/c1-39-28-8-3-20-13-27-25-15-30-29(42-19-43-30)14-21(25)9-11-35(27)17-26(20)31(28)40-12-2-10-36-16-22(33-34-36)18-41-23-4-6-24(7-5-23)44(32,37)38/h3-8,13-17H,2,9-12,18-19H2,1H3,(H2,32,37,38)/q+1
Definition date:	2021-09-07
Last modified:	2022-09-16
Release date:	2022-09-21

UO9

UO9
Name:	(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O9 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1
Definition date:	2022-08-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

URR

URR
Name:	N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
Formula:	C24 H37 N3 O9 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1
Definition date:	2022-08-23
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	(1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

7TI

7TI
Name:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
Synonyms:	clorsulon
Definition date:	2021-08-31
Last modified:	2022-09-02
Release date:	2022-09-07
Identifier:	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide

KY6

KY6
Name:	4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile
Formula:	C21 H17 N3 O S
SMILES:	OCCN(C)c1ccc2cc(C=C(/C#N)c3ccc(C#N)cc3)sc2c1
InChi:	InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+
Definition date:	2022-02-21
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile

EM0

EM0
Name:	4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide
Formula:	C16 H16 F N3 O3 S
SMILES:	Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1
InChi:	InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21)
Definition date:	2021-12-08
Last modified:	2022-08-26
Release date:	2022-08-31
Identifier:	4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide

KQU

KQU
Name:	4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1
Synonyms:	4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{R})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

KR6

KR6
Name:	4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

0I6

0I6
Name:	4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide
Formula:	C18 H23 N O6 S Se Te
SMILES:	COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
InChi:	InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m1/s1
Synonyms:	4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Definition date:	2021-06-07
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{R})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide

I7Z

I7Z
Name:	2-azanyl-4-chloranyl-benzenecarbonitrile
Formula:	C7 H5 Cl N2
SMILES:	Nc1cc(Cl)ccc1C#N
InChi:	InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-azanyl-4-chloranyl-benzenecarbonitrile

7XW

7XW
Name:	N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
Formula:	C17 H18 N2 O4 S
SMILES:	COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3
InChi:	InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3
Synonyms:	N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide
Definition date:	2021-09-13
Last modified:	2022-08-22
Release date:	2021-09-29
Identifier:	~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide

8IB

8IB
Name:	2-Hydroxyterephthalic acid
Formula:	C8 H6 O5
SMILES:	OC(=O)c1ccc(C(O)=O)c(O)c1
InChi:	InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
Synonyms:	2-oxidanylterephthalic acid
Definition date:	2021-10-19
Last modified:	2022-08-22
Release date:	2022-03-30
Identifier:	2-oxidanylterephthalic acid

8RU

8RU
Name:	4-ethylbenzene-1,2-diol
Formula:	C8 H10 O2
SMILES:	CCc1ccc(O)c(O)c1
InChi:	InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
Definition date:	2021-10-28
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	4-ethylbenzene-1,2-diol

5FZ

5FZ
Name:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
Formula:	C17 H18 N2 O5 S
SMILES:	CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccc(OC)cc3)cc12
InChi:	InChI=1S/C17H18N2O5S/c1-4-14-13-9-15(17(23-3)10-16(13)24-18-14)19-25(20,21)12-7-5-11(22-2)6-8-12/h5-10,19H,4H2,1-3H3
Definition date:	2021-08-17
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide

I2S

I2S
Name:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one
Formula:	C24 H20 Cl N3 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32
InChi:	InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21-
Definition date:	2022-01-07
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one

5E3

5E3
Name:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Formula:	C17 H18 N2 O5 S
SMILES:	CCc1noc2cc(OC)c(N[S](=O)(=O)c3ccccc3OC)cc12
InChi:	InChI=1S/C17H18N2O5S/c1-4-12-11-9-13(16(23-3)10-15(11)24-18-12)19-25(20,21)17-8-6-5-7-14(17)22-2/h5-10,19H,4H2,1-3H3
Definition date:	2021-08-17
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

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