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

Systemtic Name: methyl 5-[(4-ethoxyphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-ethoxyphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethoxyphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrobenzoyl)-p-phenetylsulfonyl-amino]benzofuran-3-carboxylic acid methyl ester Formula: C26H22N2O9S MolecularWeight: 538.52588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H22N2O9S/c1-4-36-20-9-11-21(12-10-20)38(33,34)27(25(29)17-6-5-7-19(14-17)28(31)32)18-8-13-23-22(15-18)24(16(2)37-23)26(30)35-3/h5-15H,4H2,1-3H3