3-(2,5-dimethoxyphenyl)-1-[2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidin-1-yl]prop-2-en-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(p-tolylsulfonyl)acetyl]pyrazolidin-1-yl]prop-2-en-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]-1-pyrazolidinyl]-2-propen-1-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[2-[2-(4-methylphenyl)sulfonylacetyl]pyrazolidin-1-yl]prop-2-en-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[2-(2-tosylacetyl)pyrazolidin-1-yl]prop-2-en-1-one Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)C=CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)C=CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H26N2O6S/c1-17-5-9-20(10-6-17)32(28,29)16-23(27)25-14-4-13-24(25)22(26)12-7-18-15-19(30-2)8-11-21(18)31-3/h5-12,15H,4,13-14,16H2,1-3H3