(3S)-3-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: (3S)-3-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: (3S)-3-[(1,3-benzodioxole-5-carbonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: (3S)-3-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]-N-[3-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[(1,3-benzodioxole-5-carbonylamino)methyl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: (3S)-N-[3-(methylthio)phenyl]-3-[(piperonyloylamino)methyl]piperidine-1-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCCC(C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC[C@H](C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4S/c1-30-18-6-2-5-17(11-18)24-22(27)25-9-3-4-15(13-25)12-23-21(26)16-7-8-19-20(10-16)29-14-28-19/h2,5-8,10-11,15H,3-4,9,12-14H2,1H3,(H,23,26)(H,24,27)/t15-/m0/s1