3-[[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C19H36N4O3S+2 MolecularWeight: 400.57914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)[NH2+]CCC[NH+](C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH2+]CCC[NH+](C)C)C

InChI

InChI=1S/C19H34N4O3S/c1-7-23(8-2)27(25,26)18-14-17(11-10-15(18)3)21-19(24)16(4)20-12-9-13-22(5)6/h10-11,14,16,20H,7-9,12-13H2,1-6H3,(H,21,24)/p+2/t16-/m0/s1