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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c1-2-3-11-26-20-10-9-18(32(23,29)30)12-19(20)25-21(26)15-31-22(28)16-13-24-27(14-16)17-7-5-4-6-8-17/h4-10,12-14H,2-3,11,15H2,1H3,(H2,23,29,30)