2-(1,3-benzodioxol-5-yl)-1-[2-(3-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[2-[(3-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(3-mesylbenzoyl)pyrazolidin-1-yl]ethanone Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O6S/c1-29(25,26)16-5-2-4-15(12-16)20(24)22-9-3-8-21(22)19(23)11-14-6-7-17-18(10-14)28-13-27-17/h2,4-7,10,12H,3,8-9,11,13H2,1H3