2-[1-(phenylsulfonyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylsulfonyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-(benzenesulfonyl)-3-piperidyl]acetic acid CAS Name: 2-[1-(benzenesulfonyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[1-(benzenesulfonyl)piperidin-3-yl]acetic acid Traditional Name: 2-(1-besyl-3-piperidyl)acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-13(16)9-11-5-4-8-14(10-11)19(17,18)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,15,16)