N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-[(3-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-m-anisyl-isonipecotamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-27-20-4-2-3-17(15-20)16-25-12-9-18(10-13-25)22(26)24-11-14-28-21-7-5-19(23)6-8-21/h2-8,15,18H,9-14,16H2,1H3,(H,24,26)