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QQ0
QQ0
表記:4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide
組成式:C10 H13 N O3 S2
SMILES:CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1
InChi:InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3
定義日:2022-11-10
最終更新日:2024-09-27
公開日:2023-03-29
識別子（ID）:4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide
BBS
BBS
表記:4-TERT-BUTYLBENZENESULFONIC ACID
組成式:C10 H14 O3 S
SMILES:O=S(=O)(O)c1ccc(cc1)C(C)(C)C
InChi:InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
定義日:2000-03-31
最終更新日:2024-09-27
識別子（ID）:4-tert-butylbenzenesulfonic acid
QX7
QX7
表記:N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine
組成式:C13 H15 F N2 O6 S
SMILES:c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC(=O)C)=O
InChi:InChI=1S/C13H15FN2O6S/c1-7-3-4-9(23(14,21)22)5-10(7)12(18)15-6-11(13(19)20)16-8(2)17/h3-5,11H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
定義日:2020-01-10
最終更新日:2024-09-27
公開日:2020-12-30
識別子（ID）:N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine
C9P
C9P
表記:4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
組成式:C17 H14 B N O8 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3
InChi:InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21)
別名:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID
定義日:2007-12-20
最終更新日:2024-09-27
識別子（ID）:4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
CAQ
CAQ
表記:CATECHOL
組成式:C6 H6 O2
SMILES:Oc1ccccc1O
InChi:InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
別名:1,2-DIHYDROXYBENZENE
定義日:1999-12-14
最終更新日:2024-09-27
識別子（ID）:benzene-1,2-diol
3F7
3F7
表記:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
組成式:C14 H8 N2 O4
SMILES:O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
定義日:2014-08-06
最終更新日:2024-09-27
公開日:2014-12-10
識別子（ID）:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
REV
REV
表記:2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
組成式:C17 H20 O4
SMILES:O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C
InChi:InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1
定義日:2014-04-25
最終更新日:2024-09-27
公開日:2014-10-15
識別子（ID）:2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
RH5
RH5
表記:4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
組成式:C21 H20 B N3 O3
SMILES:NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3
InChi:InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1
定義日:2019-08-16
最終更新日:2024-09-27
公開日:2019-09-25
識別子（ID）:4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
3RD
3RD
表記:4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
組成式:C15 H14 N3 O8 P
SMILES:O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2
InChi:InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+
別名:FOBISIN101
定義日:2011-05-21
最終更新日:2024-09-27
識別子（ID）:4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
CKF
CKF
表記:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
組成式:C19 H20 N2 O6 S2
SMILES:CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27)
定義日:2022-04-04
最終更新日:2024-09-27
公開日:2023-09-27
識別子（ID）:3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
CR9
CR9
表記:2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE
組成式:C21 H23 F N4 O2
SMILES:[O-]c4c(OC1CCCCC1C)cccc4c3nc2cc(c(F)cc2n3)C(=[NH2+])N
InChi:InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1
別名:CRA_11092
定義日:2003-03-14
最終更新日:2024-09-27
識別子（ID）:2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolate
CRK
CRK
表記:4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE
組成式:C16 H15 N2 O5 S
SMILES:O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC
InChi:InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+
定義日:2004-10-11
最終更新日:2024-09-27
識別子（ID）:4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate
BT6
BT6
表記:benzenethiol
組成式:C6 H6 S
SMILES:Sc1ccccc1
InChi:InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
定義日:2009-06-11
最終更新日:2024-09-27
識別子（ID）:benzenethiol
5X
5X
表記:5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
組成式: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
定義日:2005-09-22
最終更新日:2024-09-27
識別子（ID）:N-{(5R)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzenesulfonamide
63R
63R
表記:N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
組成式:C24 H29 N3 O3
SMILES:C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4
InChi:InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1
定義日:2019-07-29
最終更新日:2024-09-27
公開日:2020-01-29
識別子（ID）:N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
00S
00S
表記:4-(aminomethyl)benzenecarboximidamide
組成式:C8 H11 N3
SMILES:[N@H]=C(c1ccc(cc1)CN)N
InChi:InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
定義日:2010-11-12
最終更新日:2024-09-27
識別子（ID）:4-(aminomethyl)benzenecarboximidamide
DU1
DU1
表記:4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
組成式:C24 H30 F N5 O5 S
SMILES:O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4
InChi:InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
定義日:2017-01-12
最終更新日:2024-09-27
公開日:2017-03-01
識別子（ID）:4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
DWJ
DWJ
表記:(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
組成式:C26 H23 N3 O2
SMILES:C1(C(=O)C(C3C(C1)(c2ccccc2)c5c(CC3)cn(C(c4ccccc4)=O)n5)C)C#N
InChi:InChI=1S/C26H23N3O2/c1-17-22-13-12-19-16-29(25(31)18-8-4-2-5-9-18)28-24(19)26(22,14-20(15-27)23(17)30)21-10-6-3-7-11-21/h2-11,16-17,20,22H,12-14H2,1H3/t17-,20-,22-,26+/m0/s1
定義日:2017-11-10
最終更新日:2024-09-27
公開日:2018-07-25
識別子（ID）:(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
4MC
4MC
表記:(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E
組成式:C29 H41 N7 O4 S
SMILES:O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N
InChi:InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1
別名:4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE
定義日:2007-03-21
最終更新日:2024-09-27
識別子（ID）:N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide
EAB
EAB
表記:(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
組成式:C15 H15 N3 O2
SMILES:O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2
InChi:InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+
定義日:2006-06-01
最終更新日:2024-09-27
識別子（ID）:(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
EI8
EI8
表記:3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
組成式:C23 H16 F N3 O5 S2
SMILES:C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O
InChi:InChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28)
定義日:2019-08-14
最終更新日:2024-09-27
公開日:2019-10-16
識別子（ID）:3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
EI9
EI9
表記:3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
組成式:C21 H16 F N3 O5 S2
SMILES:C1(=O)NC=Cc2c1cc(cc2)N(Cc3ccncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O
InChi:InChI=1S/C21H16FN3O5S2/c22-31(27,28)18-2-1-3-19(13-18)32(29,30)25(14-15-6-9-23-10-7-15)17-5-4-16-8-11-24-21(26)20(16)12-17/h1-13H,14H2,(H,24,26)
定義日:2019-08-20
最終更新日:2024-09-27
公開日:2019-10-23
識別子（ID）:3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
5H
5H
表記:5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
組成式:C16 H13 Br N2 O3 S3
SMILES:O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
定義日:2005-09-22
最終更新日:2024-09-27
識別子（ID）:N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
EKZ
EKZ
表記:4-tert-butylbenzene-1,2-diol
組成式:C10 H14 O2
SMILES:Oc1ccc(cc1O)C(C)(C)C
InChi:InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
別名:4-tert-Butylcatechol (CAS 98-29-3)
定義日:2013-05-21
最終更新日:2024-09-27
公開日:2014-04-23
識別子（ID）:4-tert-butylbenzene-1,2-diol
ETP
ETP
表記:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
組成式:C16 H14 B N O6 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
定義日:2000-12-07
最終更新日:2024-09-27
識別子（ID）:[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

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