N-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[2-(methylthio)benzoyl]piperidine-1-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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