ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate

Systemtic Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-cyanophenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-cyanophenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-cyanobenzyl)-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butyric acid ethyl ester Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)N=C1CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)N=C1CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N5O4S/c1-4-34-25(31)6-5-14-30-23-12-11-21(35(32,33)27-13-15-29(2)3)17-22(23)28-24(30)16-19-7-9-20(18-26)10-8-19/h7-12,17,27H,4-6,13-16H2,1-3H3