2-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN4O3S/c1-3-4-11-26-20-10-9-18(30(23,27)28)14-19(20)24-21(26)15-25(2)12-13-29-17-7-5-16(22)6-8-17/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,27,28)