4-[[2-cyclohexylethyl-(3-methylphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[2-cyclohexylethyl-(3-methylphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl(m-tolylsulfonyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl-(3-methylphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl-(3-methylphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl(m-tolylsulfonyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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