O4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl] ester O1-methyl ester IUPAC Name: 4-O-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl] ester O1-methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O6S/c1-3-4-11-24-18-10-9-16(31(22,27)28)12-17(18)23-19(24)13-30-21(26)15-7-5-14(6-8-15)20(25)29-2/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,27,28)