(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-(2-thienylmethyl)ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-o-anisyl-(2-thenyl)ammonium Formula: C25H31N4O3S2+ MolecularWeight: 499.66864

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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=CC=C3OC)CC4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3=CC=CC=C3OC)CC4=CC=CS4

InChI

InChI=1S/C25H30N4O3S2/c1-3-4-13-29-23-12-11-21(34(26,30)31)15-22(23)27-25(29)18-28(17-20-9-7-14-33-20)16-19-8-5-6-10-24(19)32-2/h5-12,14-15H,3-4,13,16-18H2,1-2H3,(H2,26,30,31)/p+1