methyl 3-[[4-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl]sulfonylamino]propanoate

Systemtic Name: methyl 3-[[4-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]phenyl]sulfonylamino]propanoate Openeye Name: methyl 3-[[4-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]phenyl]sulfonylamino]propionic acid methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)OC

InChI

InChI=1S/C21H22N4O6S/c1-3-25-21(28)17-7-5-4-6-16(17)19(24-25)20(27)23-14-8-10-15(11-9-14)32(29,30)22-13-12-18(26)31-2/h4-11,22H,3,12-13H2,1-2H3,(H,23,27)