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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(4-methylbenzoyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-p-toluoyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H23ClN2O8S MolecularWeight: 619.04092

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

InChI

InChI=1S/C31H23ClN2O8S/c1-3-41-31(36)28-24-17-22(13-16-27(24)42-29(28)20-7-5-4-6-8-20)33(30(35)21-11-9-19(2)10-12-21)43(39,40)23-14-15-25(32)26(18-23)34(37)38/h4-18H,3H2,1-2H3