N-butyl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-butyl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-butyl-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-butyl-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-butyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-butyl-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C17H26N2O3S2 MolecularWeight: 370.52994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2O3S2/c1-3-4-11-18-17(20)14-9-12-19(13-10-14)24(21,22)16-7-5-15(23-2)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)