N-(2-tert-butylsulfanylethyl)-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C18H27ClN2O3S2 MolecularWeight: 419.00158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H27ClN2O3S2/c1-18(2,3)25-13-10-20-17(22)14-8-11-21(12-9-14)26(23,24)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,22)