3-[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-chloranyl-3-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

InChI

InChI=1S/C19H17ClN4O6S/c1-23(2)31(29,30)15-9-11(7-8-14(15)20)21-16(25)10-24-18(26)13-6-4-3-5-12(13)17(22-24)19(27)28/h3-9H,10H2,1-2H3,(H,21,25)(H,27,28)