[3-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-dimethyl-azanium chloride

Systemtic Name: [3-[(2-methoxy-5-nitro-phenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-dimethyl-azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitro-anilino]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-2-methoxy-5-nitroanilino]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-(N-besyl-2-methoxy-5-nitro-anilino)-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S.ClH/c1-19(2)12-15(22)13-20(28(25,26)16-7-5-4-6-8-16)17-11-14(21(23)24)9-10-18(17)27-3;/h4-11,15,22H,12-13H2,1-3H3;1H