diethyl-[(2S)-3-methyl-1-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]butan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-3-methyl-1-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]butan-2-yl]azanium Openeye Name: diethyl-[(1S)-2-methyl-1-[[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]methyl]propyl]ammonium CAS Name: diethyl-[(2S)-3-methyl-1-[[1-oxo-3-(1-propyl-5-sulfamoyl-2-benzimidazolyl)propyl]amino]butan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-3-methyl-1-[3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanoylamino]butan-2-yl]azanium Traditional Name: diethyl-[(1S)-2-methyl-1-[[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]methyl]propyl]ammonium Formula: C22H38N5O3S+ MolecularWeight: 452.63382

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NCC(C(C)C)[NH+](CC)CC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC[C@H](C(C)C)[NH+](CC)CC

InChI

InChI=1S/C22H37N5O3S/c1-6-13-27-19-10-9-17(31(23,29)30)14-18(19)25-21(27)11-12-22(28)24-15-20(16(4)5)26(7-2)8-3/h9-10,14,16,20H,6-8,11-13,15H2,1-5H3,(H,24,28)(H2,23,29,30)/p+1/t20-/m1/s1