2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C16H21NO3S/c1-11-7-12(2)9-17(8-11)15(18)10-21-14-6-4-3-5-13(14)16(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)