4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfonylbutanoic acid

Systemtic Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfonylbutanoic acid Openeye Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzamide; 2-methylsulfonylbutanoic acid CAS Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfonylbutanoic acid IUPAC Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzamide; 2-methylsulfonylbutanoic acid Traditional Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzamide; 2-mesylbutyric acid Formula: C29H42N2O5S MolecularWeight: 530.71918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)(=O)C.CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)N

Isomeric SMILES

CCC(C(=O)O)S(=O)(=O)C.CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)N

InChI

InChI=1S/C24H32N2O.C5H10O4S/c1-18-8-6-7-11-21(18)23-16-20(12-13-22(23)24(25)27)17-26(2)15-14-19-9-4-3-5-10-19;1-3-4(5(6)7)10(2,8)9/h6-8,11-13,16,19H,3-5,9-10,14-15,17H2,1-2H3,(H2,25,27);4H,3H2,1-2H3,(H,6,7)