N-(3-methylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c1-28-21-13-5-12-20(16-21)23-22(25)19-11-6-14-24(17-19)29(26,27)15-7-10-18-8-3-2-4-9-18/h2-5,8-9,12-13,16,19H,6-7,10-11,14-15,17H2,1H3,(H,23,25)