[1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C23H24N4O7S MolecularWeight: 500.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H24N4O7S/c1-14-7-8-16(13-19(14)35(31,32)27-9-11-33-12-10-27)24-21(28)15(2)34-23(30)20-17-5-3-4-6-18(17)22(29)26-25-20/h3-8,13,15H,9-12H2,1-2H3,(H,24,28)(H,26,29)