N-[2-(4-chlorophenyl)sulfanylethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[(4-chlorophenyl)thio]ethyl]isonipecotamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O3S2/c22-19-6-8-20(9-7-19)28-15-12-23-21(25)18-10-13-24(14-11-18)29(26,27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2,(H,23,25)