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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-[[(2R)-2-oxolanyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]-(2-thenyl)ammonium Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC3CCCO3)CC4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C[C@H]3CCCO3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O3S2/c1-2-3-10-26-21-9-8-19(31(23,27)28)13-20(21)24-22(26)16-25(14-17-6-4-11-29-17)15-18-7-5-12-30-18/h5,7-9,12-13,17H,2-4,6,10-11,14-16H2,1H3,(H2,23,27,28)/p+1/t17-/m1/s1