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

Systemtic Name: 4-[[3-cyclohexylpropyl(phenylsulfonyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[benzenesulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[benzenesulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[benzenesulfonyl(3-cyclohexylpropyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[besyl(3-cyclohexylpropyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C30H35NO4S MolecularWeight: 505.6682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCCC3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCCC3CCCCC3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H35NO4S/c1-23-11-8-9-17-27(23)29-21-25(18-19-28(29)30(32)33)22-31(20-10-14-24-12-4-2-5-13-24)36(34,35)26-15-6-3-7-16-26/h3,6-9,11,15-19,21,24H,2,4-5,10,12-14,20,22H2,1H3,(H,32,33)