[(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxole-5-carbonyl)-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-piperonyloyl-3-piperidyl]methanone Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-27-17-7-4-14(5-8-17)20(23)16-3-2-10-22(12-16)21(24)15-6-9-18-19(11-15)26-13-25-18/h4-9,11,16H,2-3,10,12-13H2,1H3/t16-/m0/s1