ethyl 5-nitro-2-[[4-[(phenylmethyl)-propan-2-yl-sulfamoyl]phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[[4-[(phenylmethyl)-propan-2-yl-sulfamoyl]phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[benzyl(isopropyl)sulfamoyl]benzoyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 5-nitro-2-[[oxo-[4-[(phenylmethyl)-propan-2-ylsulfamoyl]phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[4-[benzyl(isopropyl)sulfamoyl]benzoyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H25N3O7S2/c1-4-34-24(29)20-14-21(27(30)31)35-23(20)25-22(28)18-10-12-19(13-11-18)36(32,33)26(16(2)3)15-17-8-6-5-7-9-17/h5-14,16H,4,15H2,1-3H3,(H,25,28)