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

Systemtic Name: ethyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-isobutylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-isobutylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H28N2O8S MolecularWeight: 564.60622

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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)CC(C)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)CC(C)C)C

InChI

InChI=1S/C29H28N2O8S/c1-5-38-29(33)27-19(4)39-26-14-11-22(17-25(26)27)30(28(32)21-7-6-8-23(16-21)31(34)35)40(36,37)24-12-9-20(10-13-24)15-18(2)3/h6-14,16-18H,5,15H2,1-4H3