ethyl 2-[[4-[[4-[[4-[(6-methoxypyridazin-3-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-[(6-methoxypyridazin-3-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-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[[[4-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3,5-dinitrobenzoyl]amino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C31H27N9O12S3 MolecularWeight: 813.79418

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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=NN=C(C=C5)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=NN=C(C=C5)OC)[N+](=O)[O-])C

InChI

InChI=1S/C31H27N9O12S3/c1-4-52-30(42)28-17(2)32-31(53-28)38-55(49,50)22-11-7-20(8-12-22)34-29(41)18-15-23(39(43)44)27(24(16-18)40(45)46)33-19-5-9-21(10-6-19)54(47,48)37-25-13-14-26(51-3)36-35-25/h5-16,33H,4H2,1-3H3,(H,32,38)(H,34,41)(H,35,37)