N-(3-imidazol-1-ylpropyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H26N4O3S2/c1-27-17-3-5-18(6-4-17)28(25,26)23-12-7-16(8-13-23)19(24)21-9-2-11-22-14-10-20-15-22/h3-6,10,14-16H,2,7-9,11-13H2,1H3,(H,21,24)