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

Systemtic Name: 1-[2-(4-methoxy-5-nitro-thiophen-3-yl)carbonylpyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[2-[(4-methoxy-5-nitro-3-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-(4-mesylphenyl)-1-[2-(4-methoxy-5-nitro-thiophene-3-carbonyl)pyrazolidin-1-yl]ethanone Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S2/c1-28-16-14(11-29-18(16)21(24)25)17(23)20-9-3-8-19(20)15(22)10-12-4-6-13(7-5-12)30(2,26)27/h4-7,11H,3,8-10H2,1-2H3