3-[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O6S/c1-3-25(4-2)33(31,32)13-9-10-16(22)17(11-13)23-18(27)12-26-20(28)15-8-6-5-7-14(15)19(24-26)21(29)30/h5-11H,3-4,12H2,1-2H3,(H,23,27)(H,29,30)