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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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