3-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[2-chloranyl-5-(diethylsulfamoyl)phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[2-chloro-5-(diethylsulfamoyl)phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]propyl]-methyl-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)NCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3S/c1-4-26(5-2)30(28,29)19-12-13-21(23)20(16-19)22(27)24-14-9-15-25(3)17-18-10-7-6-8-11-18/h6-8,10-13,16H,4-5,9,14-15,17H2,1-3H3,(H,24,27)/p+1