dimethyl-[3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dimethyl-[3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-3-nitro-anilino]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-(N-besyl-3-nitro-anilino)-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S.ClH/c1-18(2)12-16(21)13-19(14-7-6-8-15(11-14)20(22)23)26(24,25)17-9-4-3-5-10-17;/h3-11,16,21H,12-13H2,1-2H3;1H