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

Systemtic Name: ethyl 5-[[4-(2-methylpropyl)phenyl]sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-isobutylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[4-(2-methylpropyl)phenyl]sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-methylpropyl)phenyl]sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-isobutylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C34H30N2O8S MolecularWeight: 626.6756

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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)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)CC(C)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C34H30N2O8S/c1-4-43-34(38)31-29-21-27(16-19-30(29)44-32(31)24-8-6-5-7-9-24)35(33(37)25-12-14-26(15-13-25)36(39)40)45(41,42)28-17-10-23(11-18-28)20-22(2)3/h5-19,21-22H,4,20H2,1-3H3