(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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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(S3)N(N=C4C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC4=C(S3)N(N=C4C)C

InChI

InChI=1S/C20H23N5O4S2/c1-4-5-8-25-16-7-6-13(31(21,27)28)9-15(16)22-18(25)11-29-20(26)17-10-14-12(2)23-24(3)19(14)30-17/h6-7,9-10H,4-5,8,11H2,1-3H3,(H2,21,27,28)