[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H23NO3S/c1-26-19-10-3-2-8-17(19)20(23)15-7-5-11-22(12-15)13-16-6-4-9-18-21(16)25-14-24-18/h2-4,6,8-10,15H,5,7,11-14H2,1H3