ethyl 4-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-keto-3-methyl-phthalazine-1-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H24N4O6S/c1-3-33-23(30)16-8-10-17(11-9-16)34(31,32)27-14-12-26(13-15-27)22(29)20-18-6-4-5-7-19(18)21(28)25(2)24-20/h4-11H,3,12-15H2,1-2H3