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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopropyl-p-anisyl-ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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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)OC)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c1-3-4-13-27-22-12-11-20(31(24,28)29)14-21(22)25-23(27)16-26(18-7-8-18)15-17-5-9-19(30-2)10-6-17/h5-6,9-12,14,18H,3-4,7-8,13,15-16H2,1-2H3,(H2,24,28,29)/p+1