ethyl 4-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]sulfamoyl]benzoate Openeye Name: ethyl 4-[[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]sulfamoyl]benzoate CAS Name: 4-[[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]sulfamoyl]benzoate Traditional Name: 4-[[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]sulfamoyl]benzoic acid ethyl ester Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O6S/c1-2-35-25(32)18-12-14-19(15-13-18)36(33,34)28-26-23(30)22-20-10-6-7-11-21(20)24(31)29(27-22)16-17-8-4-3-5-9-17/h3-15,28H,2,16H2,1H3,(H,26,30)