N-[4-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide CAS Name: N-[4-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]-2-nitrophenyl]acetamide Traditional Name: N-[4-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-13(25)21-16-9-8-14(12-17(16)24(28)29)19(26)22-10-5-11-23(22)20(27)15-6-3-4-7-18(15)32(2,30)31/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,25)