2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]butanedioic acid IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]succinic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H23NO5S/c20-16(12-25-15(18(23)24)11-17(21)22)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,21,22)(H,23,24)