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

Systemtic Name: methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(4-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-isobutylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(4-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-isobutylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C28H26N2O8S MolecularWeight: 550.57964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)CC(C)C)C(=O)OC

InChI

InChI=1S/C28H26N2O8S/c1-17(2)15-19-5-12-23(13-6-19)39(35,36)29(27(31)20-7-9-21(10-8-20)30(33)34)22-11-14-25-24(16-22)26(18(3)38-25)28(32)37-4/h5-14,16-17H,15H2,1-4H3