4-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)sulfanylbenzoic acid Openeye Name: 4-[1-methyl-2-oxo-2-(1-piperidyl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(1-piperidinyl)propan-2-yl]thio]benzoic acid IUPAC Name: 4-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCC1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11(14(17)16-9-3-2-4-10-16)20-13-7-5-12(6-8-13)15(18)19/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)