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9IX

9IX
Name:	2-methyl-5-(propan-2-yl)benzene-1,4-diol
Formula:	C10 H14 O2
SMILES:	CC(C)c1cc(O)c(C)cc1O
InChi:	InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
Synonyms:	Thymoquinone
Definition date:	2021-10-18
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	2-methyl-5-(propan-2-yl)benzene-1,4-diol

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:	2024-09-27
Identifier:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

MBD

MBD
Name:	3-METHYLCATECHOL
Formula:	C7 H8 O2
SMILES:	Oc1c(cccc1O)C
InChi:	InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
Synonyms:	3-METHYL-BENZENE-1,2-DIOL
Definition date:	2001-12-19
Last modified:	2024-09-27
Identifier:	3-methylbenzene-1,2-diol

MCT

MCT
Name:	4-METHYLCATECHOL
Formula:	C7 H8 O2
SMILES:	Oc1ccc(cc1O)C
InChi:	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
Synonyms:	4-METHYL-1,2-BENZENEDIOL
Definition date:	1999-12-17
Last modified:	2024-09-27
Identifier:	4-methylbenzene-1,2-diol

1W4

1W4
Name:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
Formula:	C25 H24 F N O2 S
SMILES:	O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3
InChi:	InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+
Definition date:	2013-06-27
Last modified:	2024-09-27
Release date:	2013-10-02
Identifier:	S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate

1ZB

1ZB
Name:	N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
Formula:	C12 H14 N4 O2
SMILES:	[N-]=[N+]=CC(=O)C(NC(=O)CN)Cc1ccccc1
InChi:	InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1
Definition date:	2009-03-11
Last modified:	2024-09-27
Identifier:	N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]glycinamide

MN2

MN2
Name:	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
Formula:	C11 H17 N2 O2
SMILES:	O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:	InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium

MN7

MN7
Name:	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE
Formula:	C12 H17 N O2
SMILES:	O=C(O)c1ccc(cc1)CNCC(C)C
InChi:	InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-{[(2-methylpropyl)amino]methyl}benzoic acid

160

160
Name:	3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
Formula:	C20 H24 N2 O8 S5
SMILES:	O=C(c1sc(cc1)S(=O)(=O)C)NCCSSCc2cccc(c2)S(=O)(=O)NC(C(=O)C)CC(=O)O
InChi:	InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
Definition date:	2003-01-21
Last modified:	2024-09-27
Identifier:	(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid

30S

30S
Name:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1ccccc1COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-10(18-15(17)19-14)5-3-6-11(13)23-8-9-4-1-2-7-12(9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-14
Last modified:	2024-09-27
Release date:	2015-05-13
Identifier:	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

30U

30U
Name:	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1ccc(cc1)COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)2-1-3-12(13)23-8-9-4-6-10(7-5-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-15
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

31G

31G
Name:	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
Formula:	C15 H14 N4 O4 S
SMILES:	O=S(=O)(O)c1cccc(c1)COc3c2c(nc(nc2N)N)ccc3
InChi:	InChI=1S/C15H14N4O4S/c16-14-13-11(18-15(17)19-14)5-2-6-12(13)23-8-9-3-1-4-10(7-9)24(20,21)22/h1-7H,8H2,(H,20,21,22)(H4,16,17,18,19)
Definition date:	2014-05-16
Last modified:	2024-09-27
Release date:	2015-05-20
Identifier:	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid

35V

35V
Name:	4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
Formula:	C19 H25 N O5 S
SMILES:	O(c1ccc(cc1OC)CCNCC(O)c2ccc(O)c(O)c2)CCS
InChi:	InChI=1S/C19H25NO5S/c1-24-19-10-13(2-5-18(19)25-8-9-26)6-7-20-12-17(23)14-3-4-15(21)16(22)11-14/h2-5,10-11,17,20-23,26H,6-9,12H2,1H3/t17-/m0/s1
Definition date:	2014-06-23
Last modified:	2024-09-27
Release date:	2014-07-23
Identifier:	4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol

38A

38A
Name:	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
Formula:	C12 H18 O3
SMILES:	OCc1c(c(c(c(c1C)CO)C)CO)C
InChi:	InChI=1S/C12H18O3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h13-15H,4-6H2,1-3H3
Definition date:	2014-07-03
Last modified:	2024-09-27
Release date:	2015-02-04
Identifier:	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol

NAF

NAF
Name:	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
Formula:	C11 H15 F3 N O2
SMILES:	FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C
InChi:	InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium

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:	2024-09-27
Identifier:	1,3-dinitrobenzene

NL7

NL7
Name:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

NLJ

NLJ
Name:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

NLM

NLM
Name:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

NLS

NLS
Name:	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 F N2 O5 S2
SMILES:	N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O
InChi:	InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

NLV

NLV
Name:	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

O44

O44
Name:	4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
Formula:	C25 H27 F N8 O3 S
SMILES:	O=S(=O)(c1ccc(cc1)CN2CCN(CC2)c3nc(C(NCC#C)=O)cc(n3)Nc4cc(nn4)C5CC5)F
InChi:	InChI=1S/C25H27FN8O3S/c1-2-9-27-24(35)21-15-22(29-23-14-20(31-32-23)18-5-6-18)30-25(28-21)34-12-10-33(11-13-34)16-17-3-7-19(8-4-17)38(26,36)37/h1,3-4,7-8,14-15,18H,5-6,9-13,16H2,(H,27,35)(H2,28,29,30,31,32)
Definition date:	2016-06-01
Last modified:	2024-09-27
Release date:	2017-01-25
Identifier:	4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride

AES

AES
Name:	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
Formula:	C8 H10 F N O2 S
SMILES:	O=S(F)(=O)c1ccc(cc1)CCN
InChi:	InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Synonyms:	AEBSF
Definition date:	2005-09-27
Last modified:	2024-09-27
Identifier:	4-(2-aminoethyl)benzenesulfonyl fluoride

OJK

OJK
Name:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Formula:	C7 H8 Cl N O2
SMILES:	NCc1cc(O)c(Cl)cc1O
InChi:	InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
Definition date:	2021-03-22
Last modified:	2024-09-27
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

2OY

2OY
Name:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)
Formula:	C14 H23 Cl N2 O3 S
SMILES:	O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
InChi:	InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
Synonyms:	Tosyllysine Chloromethyl Ketone (Bound Form)
Definition date:	2013-12-19
Last modified:	2024-09-27
Release date:	2014-04-23
Identifier:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide

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