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

Systemtic Name: methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[(3-nitrobenzoyl)-(p-tolylsulfonyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrobenzoyl)-tosyl-amino]benzofuran-3-carboxylic acid methyl ester Formula: C25H20N2O8S MolecularWeight: 508.4999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O8S/c1-15-7-10-20(11-8-15)36(32,33)26(24(28)17-5-4-6-19(13-17)27(30)31)18-9-12-22-21(14-18)23(16(2)35-22)25(29)34-3/h4-14H,1-3H3