2-[(1-methylpiperidin-4-yl)sulfanylamino]benzoic acid

Systemtic Name: 2-[(1-methylpiperidin-4-yl)sulfanylamino]benzoic acid Openeye Name: 2-[(1-methyl-4-piperidyl)sulfanylamino]benzoic acid CAS Name: 2-[[(1-methyl-4-piperidinyl)thio]amino]benzoic acid IUPAC Name: 2-[(1-methylpiperidin-4-yl)sulfanylamino]benzoic acid Traditional Name: 2-[[(1-methyl-4-piperidyl)thio]amino]benzoic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)SNC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1CCC(CC1)SNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H18N2O2S/c1-15-8-6-10(7-9-15)18-14-12-5-3-2-4-11(12)13(16)17/h2-5,10,14H,6-9H2,1H3,(H,16,17)