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

Systemtic Name: 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl(propylsulfonyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCS(=O)(=O)N(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C26H35NO4S/c1-3-17-32(30,31)27(16-15-21-10-5-4-6-11-21)19-22-13-14-24(26(28)29)25(18-22)23-12-8-7-9-20(23)2/h7-9,12-14,18,21H,3-6,10-11,15-17,19H2,1-2H3,(H,28,29)