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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]propan-1-one Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6S/c1-30(26,27)19-6-3-2-5-16(19)21(25)23-12-4-11-22(23)20(24)10-8-15-7-9-17-18(13-15)29-14-28-17/h2-3,5-7,9,13H,4,8,10-12,14H2,1H3