(3S)-1-(4-chlorophenyl)carbonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(2-furylmethylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[2-(2-furanylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(2-furfurylthio)ethyl]nipecotamide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H23ClN2O3S/c21-17-7-5-15(6-8-17)20(25)23-10-1-3-16(13-23)19(24)22-9-12-27-14-18-4-2-11-26-18/h2,4-8,11,16H,1,3,9-10,12-14H2,(H,22,24)/t16-/m0/s1