3-(2,5-dimethoxyphenyl)-1-[2-(3-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-(3-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[(3-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-(3-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-(3-mesylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H24N2O6S/c1-29-18-9-10-20(30-2)16(14-18)8-11-21(25)23-12-5-13-24(23)22(26)17-6-4-7-19(15-17)31(3,27)28/h4,6-11,14-15H,5,12-13H2,1-3H3