2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S/c1-24-20(27)15-6-4-3-5-14(15)17(23-24)12-19(26)22-10-9-21-16-8-7-13(32(2,30)31)11-18(16)25(28)29/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,26)