2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(dimethylaminomethyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC(=C(C1=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN(C)CC1CC(=C(C1=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H23NO5S/c1-23(2)12-16-10-18(14-4-7-17(8-5-14)29(3,25)26)21(22(16)24)15-6-9-19-20(11-15)28-13-27-19/h4-9,11,16H,10,12-13H2,1-3H3