3-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]methyl]benzoic acid Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H25NO3S/c24-21(16-27-15-19-7-4-8-20(14-19)22(25)26)23-11-9-18(10-12-23)13-17-5-2-1-3-6-17/h1-8,14,18H,9-13,15-16H2,(H,25,26)