3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Openeye Name: 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10-6-11(2)9-15(8-10)20(18,19)13-5-3-4-12(7-13)14(16)17/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,17)