1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H26N2O7S/c1-29-17-12-15(13-18(30-2)21(17)31-3)14-20(25)23-10-7-11-24(23)22(26)16-8-5-6-9-19(16)32(4,27)28/h5-6,8-9,12-13H,7,10-11,14H2,1-4H3