(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C22H28FN4O2S+ MolecularWeight: 431.546723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C22H27FN4O2S/c1-2-3-12-27-21-11-10-19(30(24,28)29)13-20(21)25-22(27)15-26(18-8-9-18)14-16-4-6-17(23)7-5-16/h4-7,10-11,13,18H,2-3,8-9,12,14-15H2,1H3,(H2,24,28,29)/p+1