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

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S2/c27-24(25-15-17-30-20-22-11-5-2-6-12-22)23-14-7-16-26(19-23)31(28,29)18-8-13-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2,(H,25,27)