2-[3-[1-(phenylmethyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(phenylmethyl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-(1-benzylsulfonyl-3-piperidyl)phenyl]acetic acid CAS Name: 2-[3-[1-(phenylmethyl)sulfonyl-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-(1-benzylsulfonylpiperidin-3-yl)phenyl]acetic acid Traditional Name: 2-[3-(1-benzylsulfonyl-3-piperidyl)phenyl]acetic acid Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C20H23NO4S/c22-20(23)13-17-8-4-9-18(12-17)19-10-5-11-21(14-19)26(24,25)15-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2,(H,22,23)