(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methylazanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3COC4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H28N4O4S/c1-3-4-11-26-19-10-9-17(31(23,27)28)12-18(19)24-22(26)14-25(2)13-16-15-29-20-7-5-6-8-21(20)30-16/h5-10,12,16H,3-4,11,13-15H2,1-2H3,(H2,23,27,28)/p+1/t16-/m0/s1