1-butyl-2-[[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[ethyl-(3-fluoro-4-methoxy-benzyl)amino]methyl]benzimidazole-5-sulfonamide Formula: C22H29FN4O3S MolecularWeight: 448.554063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H29FN4O3S/c1-4-6-11-27-20-9-8-17(31(24,28)29)13-19(20)25-22(27)15-26(5-2)14-16-7-10-21(30-3)18(23)12-16/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H2,24,28,29)