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

Systemtic Name: methyl 2-methyl-5-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonyl-amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[(4-methylphenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-methylbenzoyl)-(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-p-toluoyl-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)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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