dimethyl-[3-[(4-methylphenyl)sulfonyl-(2-nitrophenyl)amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dimethyl-[3-[(4-methylphenyl)sulfonyl-(2-nitrophenyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[2-nitro-N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-2-nitroanilino)propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-2-nitroanilino)propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-(2-nitro-N-tosyl-anilino)propyl]-dimethyl-ammonium chloride Formula: C18H24ClN3O5S MolecularWeight: 429.91826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](C)C)O)C2=CC=CC=C2[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](C)C)O)C2=CC=CC=C2[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H23N3O5S.ClH/c1-14-8-10-16(11-9-14)27(25,26)20(13-15(22)12-19(2)3)17-6-4-5-7-18(17)21(23)24;/h4-11,15,22H,12-13H2,1-3H3;1H