3-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]phthalazine-1-carboxylic acid Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22N4O7S/c1-14-6-7-15(12-18(14)34(31,32)25-8-10-33-11-9-25)23-19(27)13-26-21(28)17-5-3-2-4-16(17)20(24-26)22(29)30/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,29,30)