[(2S)-1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[2-chloro-5-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C22H31ClN3O3S+ MolecularWeight: 453.01784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C22H30ClN3O3S/c1-5-26(6-2)30(28,29)19-12-13-21(23)20(15-19)22(27)24-16-18(25(3)4)14-17-10-8-7-9-11-17/h7-13,15,18H,5-6,14,16H2,1-4H3,(H,24,27)/p+1/t18-/m0/s1