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

Systemtic Name: methyl 5-[(4-ethylphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-ethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-ethylphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-ethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C26H22N2O8S MolecularWeight: 522.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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