N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-ketophthalazin-2-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-31(29,30)14-6-7-16(17(10-14)24(27)28)20-8-9-21-18(25)12-23-19(26)15-5-3-2-4-13(15)11-22-23/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,25)