4-[[2-cyclohexylethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[2-cyclohexylethyl-(4-methylphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl(p-tolylsulfonyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl-(4-methylphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl-(4-methylphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl(tosyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2CCCCC2)CC3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2CCCCC2)CC3=CC(=C(C=C3)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C30H35NO4S/c1-22-12-15-26(16-13-22)36(34,35)31(19-18-24-9-4-3-5-10-24)21-25-14-17-28(30(32)33)29(20-25)27-11-7-6-8-23(27)2/h6-8,11-17,20,24H,3-5,9-10,18-19,21H2,1-2H3,(H,32,33)