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

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

InChI

InChI=1S/C34H30N2O8S/c1-5-43-33(38)30-28-21-25(16-19-29(28)44-31(30)22-10-7-6-8-11-22)35(32(37)23-12-9-13-26(20-23)36(39)40)45(41,42)27-17-14-24(15-18-27)34(2,3)4/h6-21H,5H2,1-4H3