ethyl 5-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(3-nitrobenzoyl)-(p-tolylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(3-nitrobenzoyl)-tosyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H24N2O8S MolecularWeight: 584.59586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H24N2O8S/c1-3-40-31(35)28-26-19-23(14-17-27(26)41-29(28)21-8-5-4-6-9-21)32(42(38,39)25-15-12-20(2)13-16-25)30(34)22-10-7-11-24(18-22)33(36)37/h4-19H,3H2,1-2H3