N-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-4-nitro-phenyl]ethanamide

Systemtic Name: N-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-4-nitro-phenyl]ethanamide Openeye Name: N-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]-4-nitro-phenyl]acetamide CAS Name: N-[3-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-4-nitrophenyl]acetamide IUPAC Name: N-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]-4-nitrophenyl]acetamide Traditional Name: N-[3-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]-4-nitro-phenyl]acetamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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