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

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H22N2O8S MolecularWeight: 522.52648

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

InChI

InChI=1S/C26H22N2O8S/c1-4-35-26(30)24-17(3)36-23-13-12-19(15-22(23)24)27(25(29)18-10-8-16(2)9-11-18)37(33,34)21-7-5-6-20(14-21)28(31)32/h5-15H,4H2,1-3H3