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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O7S/c1-29-18-13-16(14-19(30-2)21(18)31-3)22(26)24-11-5-10-23(24)20(25)12-15-6-8-17(9-7-15)32(4,27)28/h6-9,13-14H,5,10-12H2,1-4H3