[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone

Systemtic Name: [2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone Openeye Name: [2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone CAS Name: [2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-(2-methylsulfonylphenyl)methanone IUPAC Name: [2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone Traditional Name: (2-mesylphenyl)-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]methanone Formula: C17H17N3O7S2 MolecularWeight: 439.46278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S2/c1-27-14-12(10-28-17(14)20(23)24)16(22)19-9-5-8-18(19)15(21)11-6-3-4-7-13(11)29(2,25)26/h3-4,6-7,10H,5,8-9H2,1-2H3