4-(piperidin-1-ylsulfonylmethyl)benzoic acid

Systemtic Name: 4-(piperidin-1-ylsulfonylmethyl)benzoic acid Openeye Name: 4-(1-piperidylsulfonylmethyl)benzoic acid CAS Name: 4-(1-piperidinylsulfonylmethyl)benzoic acid IUPAC Name: 4-(piperidin-1-ylsulfonylmethyl)benzoic acid Traditional Name: 4-(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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