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

Systemtic Name: 4-[[butylsulfonyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[butylsulfonyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[butylsulfonyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[butylsulfonyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[butylsulfonyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO4S/c1-3-4-18-33(31,32)28(17-16-22-11-6-5-7-12-22)20-23-14-15-25(27(29)30)26(19-23)24-13-9-8-10-21(24)2/h8-10,13-15,19,22H,3-7,11-12,16-18,20H2,1-2H3,(H,29,30)