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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-(5-methylsulfonylthiophen-2-yl)carbonylpyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-(5-methylsulfonylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-(5-mesylthiophene-2-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S2/c1-27-15-6-7-16(28-2)14(13-15)5-9-18(23)21-11-4-12-22(21)20(24)17-8-10-19(29-17)30(3,25)26/h5-10,13H,4,11-12H2,1-3H3