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

Systemtic Name: ethyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-p-toluoyl-amino]benzofuran-3-carboxylic acid ethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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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)C)[N+](=O)[O-])C

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)C)[N+](=O)[O-])C

InChI

InChI=1S/C27H24N2O8S/c1-5-36-27(31)25-18(4)37-24-13-11-20(14-22(24)25)28(26(30)19-9-6-16(2)7-10-19)38(34,35)21-12-8-17(3)23(15-21)29(32)33/h6-15H,5H2,1-4H3