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

Systemtic Name: methyl 5-[cyclohexylcarbonyl-(4-methylphenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[cyclohexanecarbonyl(p-tolylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[cyclohexanecarbonyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[cyclohexanecarbonyl(tosyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4CCCCC4

InChI

InChI=1S/C25H27NO6S/c1-16-9-12-20(13-10-16)33(29,30)26(24(27)18-7-5-4-6-8-18)19-11-14-22-21(15-19)23(17(2)32-22)25(28)31-3/h9-15,18H,4-8H2,1-3H3