N-(2-cyclohexylsulfanylethyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclohexylthio)ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(cyclohexylthio)ethyl]isonipecotamide Formula: C21H32N2O3S2 MolecularWeight: 424.62038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O3S2/c24-21(22-13-16-27-20-9-5-2-6-10-20)19-11-14-23(15-12-19)28(25,26)17-18-7-3-1-4-8-18/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,22,24)