1-butyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[homoveratryl(methyl)amino]methyl]benzimidazole-5-sulfonamide Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H32N4O4S/c1-5-6-12-27-20-9-8-18(32(24,28)29)15-19(20)25-23(27)16-26(2)13-11-17-7-10-21(30-3)22(14-17)31-4/h7-10,14-15H,5-6,11-13,16H2,1-4H3,(H2,24,28,29)