(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C

InChI

InChI=1S/C22H22N4O6S/c1-3-4-9-26-18-8-6-14(33(23,30)31)11-17(18)24-19(26)12-32-22(29)13-5-7-15-16(10-13)21(28)25(2)20(15)27/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,23,30,31)