ethyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonyl-(phenylcarbonyl)amino]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonyl-(phenylcarbonyl)amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[benzoyl-(2-methyl-5-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzoyl-(2-methyl-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[benzoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H22N2O8S MolecularWeight: 522.52648

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

Isomeric SMILES

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

InChI

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