[(2S)-1-[[4-(cyclopropylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[4-(cyclopropylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[4-(cyclopropylsulfamoyl)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C21H27N3O3S/c1-24(2)19(14-16-6-4-3-5-7-16)15-22-21(25)17-8-12-20(13-9-17)28(26,27)23-18-10-11-18/h3-9,12-13,18-19,23H,10-11,14-15H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1