4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(p-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-methylbenzyl)isonipecotic acid Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-16-3-5-17(6-4-16)15-22-13-11-21(12-14-22,20(23)24)28(25,26)19-9-7-18(27-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,23,24)