1-(4-methylsulfanylphenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

InChI=1S/C23H27N3O4S2/c1-3-14-24-23(28)20-6-4-5-7-21(20)25-22(27)17-12-15-26(16-13-17)32(29,30)19-10-8-18(31-2)9-11-19/h3-11,17H,1,12-16H2,2H3,(H,24,28)(H,25,27)