ethyl 2-[[4-[[4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]-3,5-dinitro-phenyl]carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[[4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]amino]-3,5-dinitro-phenyl]carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[[4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[[[4-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-3,5-dinitrobenzoyl]amino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[[4-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C32H29N9O13S3 MolecularWeight: 843.82016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)NC5=CC(=NC(=N5)OC)OC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)NC5=CC(=NC(=N5)OC)OC)[N+](=O)[O-])C

InChI

InChI=1S/C32H29N9O13S3/c1-5-54-30(43)28-17(2)33-32(55-28)39-57(50,51)22-12-8-20(9-13-22)35-29(42)18-14-23(40(44)45)27(24(15-18)41(46)47)34-19-6-10-21(11-7-19)56(48,49)38-25-16-26(52-3)37-31(36-25)53-4/h6-16,34H,5H2,1-4H3,(H,33,39)(H,35,42)(H,36,37,38)