4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxylic acid CAS Name: 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-1-tosyl-isonipecotic acid Formula: C19H20ClNO4S MolecularWeight: 393.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO4S/c1-14-2-8-17(9-3-14)26(24,25)21-12-10-19(11-13-21,18(22)23)15-4-6-16(20)7-5-15/h2-9H,10-13H2,1H3,(H,22,23)