(2-methylsulfonylphenyl)-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]methanone

Systemtic Name: (2-methylsulfonylphenyl)-[2-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpyrazolidin-1-yl]methanone Openeye Name: (2-methylsulfonylphenyl)-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]methanone CAS Name: (2-methylsulfonylphenyl)-[2-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-1-pyrazolidinyl]methanone IUPAC Name: (2-methylsulfonylphenyl)-[2-(3,4,5-trimethoxy-2-nitrobenzoyl)pyrazolidin-1-yl]methanone Traditional Name: (2-mesylphenyl)-[2-(3,4,5-trimethoxy-2-nitro-benzoyl)pyrazolidin-1-yl]methanone Formula: C21H23N3O9S MolecularWeight: 493.48702

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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)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H23N3O9S/c1-31-15-12-14(17(24(27)28)19(33-3)18(15)32-2)21(26)23-11-7-10-22(23)20(25)13-8-5-6-9-16(13)34(4,29)30/h5-6,8-9,12H,7,10-11H2,1-4H3