N-[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[2-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]ethyl]-4-nitro-benzamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-32(30,31)17-6-3-2-5-16(17)20(27)23-12-4-11-22(23)18(25)13-21-19(26)14-7-9-15(10-8-14)24(28)29/h2-3,5-10H,4,11-13H2,1H3,(H,21,26)