dimethyl-[(1R)-2-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[1-oxo-3-(1-propyl-5-sulfamoyl-2-benzimidazolyl)propyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)propanoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C21H30N5O3S2+ MolecularWeight: 464.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC[C@@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C21H29N5O3S2/c1-4-10-26-18-6-5-16(31(22,28)29)12-17(18)24-20(26)7-8-21(27)23-13-19(25(2)3)15-9-11-30-14-15/h5-6,9,11-12,14,19H,4,7-8,10,13H2,1-3H3,(H,23,27)(H2,22,28,29)/p+1/t19-/m0/s1