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

Systemtic Name: [2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [2-(2-mesylbenzoyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-28-16-11-10-15(18(29-2)19(16)30-3)21(25)23-13-7-12-22(23)20(24)14-8-5-6-9-17(14)31(4,26)27/h5-6,8-11H,7,12-13H2,1-4H3