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

Systemtic Name: N-[4-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]carbonyl-2-nitro-phenyl]ethanamide Openeye Name: N-[4-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide CAS Name: N-[4-[[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-2-nitrophenyl]acetamide IUPAC Name: N-[4-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carbonyl]-2-nitrophenyl]acetamide Traditional Name: N-[4-[2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carbonyl]-2-nitro-phenyl]acetamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-14(26)22-18-9-6-16(13-19(18)25(29)30)21(28)24-11-3-10-23(24)20(27)12-15-4-7-17(8-5-15)33(2,31)32/h4-9,13H,3,10-12H2,1-2H3,(H,22,26)