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

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester 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=C1COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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