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

Systemtic Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate CAS Name: 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-amidinobenzyl)-5-(2-dimethylaminoethylsulfamoyl)benzimidazol-1-yl]butyric acid ethyl ester Formula: C25H34N6O4S MolecularWeight: 514.64026

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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)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)N

InChI

InChI=1S/C25H34N6O4S/c1-4-35-24(32)6-5-14-31-22-12-11-20(36(33,34)28-13-15-30(2)3)17-21(22)29-23(31)16-18-7-9-19(10-8-18)25(26)27/h7-12,17,28H,4-6,13-16H2,1-3H3,(H3,26,27)