[(2S)-1-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]ethyl]-diethyl-ammonium Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C23H30N4O3S/c1-3-27(4-2)21(17-19-9-6-5-7-10-19)18-25-23(28)20-11-13-22(14-12-20)31(29,30)26-16-8-15-24/h5-7,9-14,21,26H,3-4,8,16-18H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1