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

Systemtic Name: ethyl 5-[(4-ethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-ethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-ethylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-ethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-ethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O8S/c1-4-18-9-12-22(13-10-18)38(34,35)28(26(30)19-7-6-8-21(15-19)29(32)33)20-11-14-24-23(16-20)25(17(3)37-24)27(31)36-5-2/h6-16H,4-5H2,1-3H3