4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[butylsulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCS(=O)(=O)N(CCCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C28H39NO4S/c1-3-4-19-34(32,33)29(18-10-14-23-12-6-5-7-13-23)21-24-16-17-26(28(30)31)27(20-24)25-15-9-8-11-22(25)2/h8-9,11,15-17,20,23H,3-7,10,12-14,18-19,21H2,1-2H3,(H,30,31)