2-[(2S)-1-(3-methylphenyl)sulfonylpiperidin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-1-(3-methylphenyl)sulfonylpiperidin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-1-(m-tolylsulfonyl)-2-piperidyl]acetic acid CAS Name: 2-[(2S)-1-(3-methylphenyl)sulfonyl-2-piperidinyl]acetic acid IUPAC Name: 2-[(2S)-1-(3-methylphenyl)sulfonylpiperidin-2-yl]acetic acid Traditional Name: 2-[(2S)-1-(m-tolylsulfonyl)-2-piperidyl]acetic acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2CC(=O)O

InChI

InChI=1S/C14H19NO4S/c1-11-5-4-7-13(9-11)20(18,19)15-8-3-2-6-12(15)10-14(16)17/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,16,17)/t12-/m0/s1