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

Systemtic Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-acetamidophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-acetamidophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-acetamidophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C27H23N3O9S MolecularWeight: 565.55122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C27H23N3O9S/c1-4-38-27(33)25-16(2)39-24-13-10-20(15-23(24)25)29(26(32)18-6-5-7-21(14-18)30(34)35)40(36,37)22-11-8-19(9-12-22)28-17(3)31/h5-15H,4H2,1-3H3,(H,28,31)