2-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[(3S)-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=C2C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-10-5-4-8-14(9-10)19(17,18)12-7-3-2-6-11(12)13(15)16/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,16)/t10-/m0/s1