1,3-benzodioxol-5-ylmethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]-cyclopentylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-cyclopentyl-piperonyl-ammonium Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C25H32N4O4S/c1-2-3-12-29-22-10-9-20(34(26,30)31)14-21(22)27-25(29)16-28(19-6-4-5-7-19)15-18-8-11-23-24(13-18)33-17-32-23/h8-11,13-14,19H,2-7,12,15-17H2,1H3,(H2,26,30,31)/p+1