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

Systemtic Name: ethyl 5-[(4-ethoxyphenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-ethoxyphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethoxyphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-nitrobenzoyl)-p-phenetylsulfonyl-amino]benzofuran-3-carboxylic acid ethyl ester Formula: C27H24N2O9S MolecularWeight: 552.55246

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

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OCC)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O9S/c1-4-36-21-11-13-22(14-12-21)39(34,35)28(26(30)18-6-8-19(9-7-18)29(32)33)20-10-15-24-23(16-20)25(17(3)38-24)27(31)37-5-2/h6-16H,4-5H2,1-3H3