4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H21NO3S/c1-11-4-3-5-12(2)17(11)15(18)10-21-14-8-6-13(7-9-14)16(19)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20)