N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C21H34N2O3S2 MolecularWeight: 426.63626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H34N2O3S2/c1-21(2,3)27-16-13-22-20(24)19-11-14-23(15-12-19)28(25,26)17-7-10-18-8-5-4-6-9-18/h4-6,8-9,19H,7,10-17H2,1-3H3,(H,22,24)