(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-bromanylphenoxy)ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-2-3-9-24-18-8-7-16(30(22,26)27)11-17(18)23-19(24)12-29-20(25)13-28-15-6-4-5-14(21)10-15/h4-8,10-11H,2-3,9,12-13H2,1H3,(H2,22,26,27)