4-[4-(4-methylphenyl)phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[4-(4-methylphenyl)phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 3-hydroxy-4-[4-(p-tolyl)phenyl]sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-hydroxy-4-[4-(4-methylphenyl)phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-4-[4-(4-methylphenyl)phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-hydroxy-4-[4-(p-tolyl)phenyl]sulfonyl-nipecotic acid Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3CCNCC3(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3CCNCC3(C(=O)O)O

InChI

InChI=1S/C19H21NO5S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)26(24,25)17-10-11-20-12-19(17,23)18(21)22/h2-9,17,20,23H,10-12H2,1H3,(H,21,22)