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

Systemtic Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C32H26N2O8S MolecularWeight: 598.62244

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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=C(C=CC(=C4)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=C(C=CC(=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C32H26N2O8S/c1-4-41-32(36)29-26-19-25(16-17-27(26)42-30(29)22-8-6-5-7-9-22)33(31(35)23-12-14-24(15-13-23)34(37)38)43(39,40)28-18-20(2)10-11-21(28)3/h5-19H,4H2,1-3H3