(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: (3S)-3-(1,3-benzodioxole-5-carbonyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: (3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[2-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-(1,3-benzodioxole-5-carbonyl)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: (3S)-N-[2-(methylthio)phenyl]-3-piperonyloyl-piperidine-1-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4S/c1-28-19-7-3-2-6-16(19)22-21(25)23-10-4-5-15(12-23)20(24)14-8-9-17-18(11-14)27-13-26-17/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,22,25)/t15-/m0/s1