(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-3-[4-(methylthio)benzoyl]piperidine-1-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4S/c1-28-17-7-4-14(5-8-17)20(24)15-3-2-10-23(12-15)21(25)22-16-6-9-18-19(11-16)27-13-26-18/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,22,25)/t15-/m0/s1