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

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-benzylsulfanylethyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-benzylsulfanylethyl)piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-besyl-nipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c24-21(22-13-15-27-17-18-8-3-1-4-9-18)19-10-7-14-23(16-19)28(25,26)20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,22,24)