2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]ethanone Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)OC

InChI

InChI=1S/C21H24N2O6S2/c1-28-17-10-9-15(13-18(17)29-2)30-14-20(24)22-11-6-12-23(22)21(25)16-7-4-5-8-19(16)31(3,26)27/h4-5,7-10,13H,6,11-12,14H2,1-3H3