[(1S)-2-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)phenyl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[4-(2-cyanoethylsulfamoyl)benzoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-3-26(4-2)21(18-9-6-5-7-10-18)17-24-22(27)19-11-13-20(14-12-19)30(28,29)25-16-8-15-23/h5-7,9-14,21,25H,3-4,8,16-17H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1