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LJG
LJG
表記:N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]
組成式:C24 H39 N5 O4 S2
SMILES:O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CCNCCN(CC(C)C)S(=O)(=O)c2ccc(N)cc2
InChi:InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
定義日:2007-11-29
最終更新日:2011-06-04
識別子（ID）:N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]
LJH
LJH
表記:N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
組成式:C30 H35 N5 O4 S2
SMILES:O=S(=O)(c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc3)S(=O)(=O)c4ccc(N)cc4
InChi:InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2
定義日:2007-11-29
最終更新日:2011-06-04
識別子（ID）:N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
LJZ
LJZ
表記:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
組成式:C28 H24 Cl2 N6 O4
SMILES:Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3C=C/C(=CN=NC(=O)CCC(=O)Nc2ccccc2Cl)C=C3
InChi:InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+
定義日:2010-04-21
最終更新日:2011-06-04
識別子（ID）:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
BGF
BGF
表記:2,5-BIS(4-GUANYLPHENYL)FURAN
組成式:C18 H18 N4 O
SMILES:o1c(ccc1c2ccc(C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])N)cc3
InChi:InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(furan-2,5-diyldibenzene-4,1-diyl)bis(aminomethaniminium)
BHC
BHC
表記:BENZENE HEXACARBOXYLIC ACID
組成式:C12 H6 O12
SMILES:O=C(O)c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChi:InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene-1,2,3,4,5,6-hexacarboxylic acid
BII
BII
表記:2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
組成式:C25 H32 Cl N7 O3 S
SMILES:O=S(=O)(NC(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=CC(C=C3)N4CCC(NC)C4
InChi:InChI=1S/C25H32ClN7O3S/c1-16(2)32-37(34,35)23-8-6-5-7-21(23)29-24-19(26)14-28-25(31-24)30-20-10-9-18(13-22(20)36-4)33-12-11-17(15-33)27-3/h5-10,13-14,16-18,27,32H,11-12,15H2,1-4H3,(H,28,29,31)/b30-20+/t17-,18?/m1/s1
定義日:2008-08-28
最終更新日:2011-06-04
識別子（ID）:2-{[5-chloro-2-({(1E,4R)-2-methoxy-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-N-(1-methylethyl)benzenesulfonamide
LS1
LS1
表記:N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
組成式:C16 H15 N3 O3 S
SMILES:O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-
定義日:2001-11-19
最終更新日:2011-06-04
識別子（ID）:N-methyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
LS4
LS4
表記:4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
組成式:C18 H14 N4 O3 S2
SMILES:O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4
InChi:InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
定義日:2001-11-19
最終更新日:2011-06-04
識別子（ID）:4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide
LS5
LS5
表記:3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
組成式:C16 H15 N5 O3 S
SMILES:O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
定義日:2001-11-21
最終更新日:2011-06-04
識別子（ID）:N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
LT1
LT1
表記:(3-chloropropyl)benzene
組成式:C9 H11 Cl
SMILES:ClCCCc1ccccc1
InChi:InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
定義日:2009-02-17
最終更新日:2011-06-04
識別子（ID）:(3-chloropropyl)benzene
1MS
1MS
表記:N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
組成式:C12 H11 N5 O5 S
SMILES:O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2[N+]([O-])=O
InChi:InChI=1S/C12H11N5O5S/c1-8-6-7-13-11(14-8)15-12(18)16-23(21,22)10-5-3-2-4-9(10)17(19)20/h2-7H,1H3,(H2,13,14,15,16,18)
定義日:2008-10-06
最終更新日:2011-06-04
識別子（ID）:N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
LZ4
LZ4
表記:4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
組成式:C10 H9 Cl N4 O2 S
SMILES:Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2
InChi:InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
定義日:2008-05-15
最終更新日:2011-06-04
識別子（ID）:4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
M4S
M4S
表記:4-methoxybenzenesulfonamide
組成式:C7 H9 N O3 S
SMILES:COc1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
定義日:2010-01-28
最終更新日:2011-06-04
識別子（ID）:4-methoxybenzenesulfonamide
A2C
A2C
表記:3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)
組成式:C18 H20 N6 O2
SMILES:NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1
InChi:InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22)
定義日:2009-12-03
最終更新日:2011-06-04
識別子（ID）:3-[2-[(5-carbamimidoyl-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-benzenecarboximidamide
A37
A37
表記:2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE
組成式:C13 H7 Cl3 N2 O3 S
SMILES:Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(Cl)ccc3o2
InChi:InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
定義日:2006-01-25
最終更新日:2011-06-04
識別子（ID）:2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
A74
A74
表記:2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE
組成式:C20 H15 Cl2 N3 O5 S
SMILES:Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4ccc(OC)nc4
InChi:InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25)
定義日:2006-01-25
最終更新日:2011-06-04
識別子（ID）:2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
MB1
MB1
表記:2-chloro-5-nitrobenzenesulfonamide
組成式:C6 H5 Cl N2 O4 S
SMILES:O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N
InChi:InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13)
定義日:2007-09-04
最終更新日:2011-06-04
識別子（ID）:2-chloro-5-nitrobenzenesulfonamide
MBN
MBN
表記:TOLUENE
組成式:C7 H8
SMILES:c1ccccc1C
InChi:InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:methylbenzene
MCA
MCA
表記:METHYLMALONYL-COENZYME A
組成式:C25 H40 N7 O19 P3 S
SMILES:O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
A94
A94
表記:N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
組成式:C17 H19 N5 O4 S
SMILES:O=S(=O)(NCc1nc(nc(c1)C)N)c3cc(NC=C2C(=O)OCC2)ccc3
InChi:InChI=1S/C17H19N5O4S/c1-11-7-14(22-17(18)21-11)10-20-27(24,25)15-4-2-3-13(8-15)19-9-12-5-6-26-16(12)23/h2-4,7-9,19-20H,5-6,10H2,1H3,(H2,18,21,22)/b12-9+
定義日:2007-07-05
最終更新日:2011-06-04
識別子（ID）:N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(E)-(2-oxodihydrofuran-3(2H)-ylidene)methyl]amino}benzenesulfonamide
AAS
AAS
表記:3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE
組成式:C8 H10 Hg N2 O4 S
SMILES:O=S(=O)(c1cc([Hg]OC(=O)C)c(N)cc1)N
InChi:InChI=1S/C6H7N2O2S.C2H4O2.Hg/c7-5-1-3-6(4-2-5)11(8,9)10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(acetato-kappaO)(2-amino-5-sulfamoylphenyl)mercury
AAX
AAX
表記:N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
組成式:C25 H24 N4 O4 S
SMILES:O=S(=O)(NCC1CC1)c2cc(c(OC)cc2)Nc3ncc(o3)c5cccc(c4cccnc4)c5
InChi:InChI=1S/C25H24N4O4S/c1-32-23-10-9-21(34(30,31)28-14-17-7-8-17)13-22(23)29-25-27-16-24(33-25)19-5-2-4-18(12-19)20-6-3-11-26-15-20/h2-6,9-13,15-17,28H,7-8,14H2,1H3,(H,27,29)
定義日:2004-12-09
最終更新日:2011-06-04
識別子（ID）:N-(cyclopropylmethyl)-4-methoxy-3-{[5-(3-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]amino}benzenesulfonamide
AB4
AB4
表記:2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
組成式:C22 H15 Cl2 N O4 S
SMILES:O=S(=O)(c1cc(Cl)ccc1Cl)Nc4cc(c3c2ccccc2ccc3O)c(O)cc4
InChi:InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
定義日:2005-08-11
最終更新日:2011-06-04
識別子（ID）:2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
771
771
表記:4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE
組成式:C23 H26 N4 O4 S
SMILES:O=S(=O)(Nc2cc(OCc1ccccc1)c(OC)cc2CNc3ccc(C(=[N@H])N)cc3)C
InChi:InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
定義日:2004-06-15
最終更新日:2011-06-04
識別子（ID）:4-({4-(benzyloxy)-5-methoxy-2-[(methylsulfonyl)amino]benzyl}amino)benzenecarboximidamide
MHB
MHB
表記:2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
組成式:C14 H12 N2 O3
SMILES:O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C
InChi:InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-[(E)-(4-hydroxy-3-methylphenyl)diazenyl]benzoic acid

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