3-(2,5-dimethoxyphenyl)-1-[2-(4-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[(4-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-methylsulfonylbenzoyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-(4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-29-18-8-11-20(30-2)17(15-18)7-12-21(25)23-13-4-14-24(23)22(26)16-5-9-19(10-6-16)31(3,27)28/h5-12,15H,4,13-14H2,1-3H3