methyl 4-[4-cyclohexyl-2-(phenylsulfonyl)butyl]-2-(2-methylphenyl)benzoate

Systemtic Name: methyl 4-[4-cyclohexyl-2-(phenylsulfonyl)butyl]-2-(2-methylphenyl)benzoate Openeye Name: methyl 4-[2-(benzenesulfonyl)-4-cyclohexyl-butyl]-2-(o-tolyl)benzoate CAS Name: 4-[2-(benzenesulfonyl)-4-cyclohexylbutyl]-2-(2-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonyl)-4-cyclohexylbutyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-(2-besyl-4-cyclohexyl-butyl)-2-(o-tolyl)benzoic acid methyl ester Formula: C31H36O4S MolecularWeight: 504.68014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CC(CCC3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CC(CCC3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C31H36O4S/c1-23-11-9-10-16-28(23)30-22-25(18-20-29(30)31(32)35-2)21-27(19-17-24-12-5-3-6-13-24)36(33,34)26-14-7-4-8-15-26/h4,7-11,14-16,18,20,22,24,27H,3,5-6,12-13,17,19,21H2,1-2H3