3-methylsulfonyl-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-piperidin-1-yl-benzoic acid Openeye Name: 3-methylsulfonyl-4-(1-piperidyl)benzoic acid CAS Name: 3-methylsulfonyl-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-4-piperidin-1-ylbenzoic acid Traditional Name: 3-mesyl-4-piperidino-benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCCC2

InChI

InChI=1S/C13H17NO4S/c1-19(17,18)12-9-10(13(15)16)5-6-11(12)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)