methyl 5-[cyclohexylcarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[cyclohexylcarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[cyclohexanecarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-methyl-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[cyclohexanecarbonyl-(4-methyl-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C25H26N2O8S MolecularWeight: 514.54754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O8S/c1-15-9-11-19(14-21(15)27(30)31)36(32,33)26(24(28)17-7-5-4-6-8-17)18-10-12-22-20(13-18)23(16(2)35-22)25(29)34-3/h9-14,17H,4-8H2,1-3H3