[(1S)-2-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H23N4O3S2+ MolecularWeight: 407.53022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N)C2=CSC=C2

InChI

InChI=1S/C18H22N4O3S2/c1-22(2)17(15-8-11-26-13-15)12-20-18(23)14-4-6-16(7-5-14)27(24,25)21-10-3-9-19/h4-8,11,13,17,21H,3,10,12H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1