6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(4-methylphenyl)sulfonyl-piperidin-2-one

Systemtic Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(4-methylphenyl)sulfonyl-piperidin-2-one Openeye Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-(p-tolylsulfonyl)piperidin-2-one CAS Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-piperidinone IUPAC Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one Traditional Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-tosyl-2-piperidone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5S/c1-15-5-10-18(11-6-15)28(24,25)22-17(3-2-4-21(22)23)9-7-16-8-12-19-20(13-16)27-14-26-19/h5-13,17H,2-4,14H2,1H3/b9-7+