3-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 3-[(3,5-dimethyl-1-piperidyl)sulfonylmethyl]benzoic acid CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(3,5-dimethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 3-[(3,5-dimethylpiperidino)sulfonylmethyl]benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H21NO4S/c1-11-6-12(2)9-16(8-11)21(19,20)10-13-4-3-5-14(7-13)15(17)18/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,17,18)