3-(piperidin-1-ylsulfonylmethyl)benzoic acid

Systemtic Name: 3-(piperidin-1-ylsulfonylmethyl)benzoic acid Openeye Name: 3-(1-piperidylsulfonylmethyl)benzoic acid CAS Name: 3-(1-piperidinylsulfonylmethyl)benzoic acid IUPAC Name: 3-(piperidin-1-ylsulfonylmethyl)benzoic acid Traditional Name: 3-(piperidinosulfonylmethyl)benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c15-13(16)12-6-4-5-11(9-12)10-19(17,18)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)