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

Systemtic Name: 4-[[butylsulfonyl(4-cyclohexylbutyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[butylsulfonyl(4-cyclohexylbutyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[butylsulfonyl(4-cyclohexylbutyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[butylsulfonyl(4-cyclohexylbutyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[butylsulfonyl(4-cyclohexylbutyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C29H41NO4S MolecularWeight: 499.70514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCCCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCS(=O)(=O)N(CCCCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C29H41NO4S/c1-3-4-20-35(33,34)30(19-11-10-15-24-13-6-5-7-14-24)22-25-17-18-27(29(31)32)28(21-25)26-16-9-8-12-23(26)2/h8-9,12,16-18,21,24H,3-7,10-11,13-15,19-20,22H2,1-2H3,(H,31,32)