3-(3-methylpiperidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Openeye Name: 3-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(3-methylpiperidino)sulfonylbenzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-10-4-3-7-14(9-10)19(17,18)12-6-2-5-11(8-12)13(15)16/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,16)