3-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H21N5O5S/c1-4-25-17-10-9-13(32(30,31)24(2)3)11-16(17)22-18(25)12-26-20(27)15-8-6-5-7-14(15)19(23-26)21(28)29/h5-11H,4,12H2,1-3H3,(H,28,29)