ethyl 2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]sulfonylamino]ethanoate

Systemtic Name: ethyl 2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]sulfonylamino]acetate CAS Name: 2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]sulfonylamino]acetate Traditional Name: 2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]sulfonylamino]acetic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H19N3O5S/c1-3-27-17(23)11-20-28(25,26)16-10-13(9-8-12(16)2)18-14-6-4-5-7-15(14)19(24)22-21-18/h4-10,20H,3,11H2,1-2H3,(H,22,24)