(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN(N=C3)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C17H21N5O4S/c1-3-4-7-22-15-6-5-13(27(18,24)25)8-14(15)20-16(22)11-26-17(23)12-9-19-21(2)10-12/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,24,25)