ethyl 5-[cyclohexylcarbonyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[cyclohexylcarbonyl(phenylsulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[benzenesulfonyl(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[benzenesulfonyl-[cyclohexyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[benzenesulfonyl(cyclohexanecarbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[besyl(cyclohexanecarbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27NO6S/c1-3-31-25(28)23-17(2)32-22-15-14-19(16-21(22)23)26(24(27)18-10-6-4-7-11-18)33(29,30)20-12-8-5-9-13-20/h5,8-9,12-16,18H,3-4,6-7,10-11H2,1-2H3