2-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanylbenzoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-oxo-1-(1-piperidinyl)propan-2-yl]thio]benzoic acid IUPAC Name: 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-keto-1-methyl-2-piperidino-ethyl)thio]benzoic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCC1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11(14(17)16-9-5-2-6-10-16)20-13-8-4-3-7-12(13)15(18)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19)