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

Systemtic Name: ethyl 5-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[(4-methylphenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(3-nitrophenyl)sulfonyl-p-toluoyl-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=C(C=C3)C)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

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

InChI

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