N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C24H31ClN2O3S2 MolecularWeight: 495.09754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H31ClN2O3S2/c25-23-12-4-9-21(17-23)19-31-15-13-26-24(28)22-11-5-14-27(18-22)32(29,30)16-6-10-20-7-2-1-3-8-20/h1-4,7-9,12,17,22H,5-6,10-11,13-16,18-19H2,(H,26,28)