N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c1-34(32,33)17-7-8-19(20(15-17)27(30)31)23-12-13-24-21(28)9-10-22(29)26-14-11-18(25-26)16-5-3-2-4-6-16/h2-8,15,23H,9-14H2,1H3,(H,24,28)