[3-bromanyl-2-(6-chloranylpyridin-2-yl)-2-oxidanyl-propyl]-dimethyl-(4-methylsulfinylphenyl)sulfonyl-azanium

Systemtic Name: [3-bromanyl-2-(6-chloranylpyridin-2-yl)-2-oxidanyl-propyl]-dimethyl-(4-methylsulfinylphenyl)sulfonyl-azanium Openeye Name: [3-bromo-2-(6-chloro-2-pyridyl)-2-hydroxy-propyl]-dimethyl-(4-methylsulfinylphenyl)sulfonyl-ammonium CAS Name: [3-bromo-2-(6-chloro-2-pyridinyl)-2-hydroxypropyl]-dimethyl-(4-methylsulfinylphenyl)sulfonylammonium IUPAC Name: [3-bromo-2-(6-chloropyridin-2-yl)-2-hydroxypropyl]-dimethyl-(4-methylsulfinylphenyl)sulfonylazanium Traditional Name: [3-bromo-2-(6-chloro-2-pyridyl)-2-hydroxy-propyl]-dimethyl-(4-methylsulfinylphenyl)sulfonyl-ammonium Formula: C17H21BrClN2O4S2+ MolecularWeight: 496.84664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(CBr)(C1=NC(=CC=C1)Cl)O)S(=O)(=O)C2=CC=C(C=C2)S(=O)C

Isomeric SMILES

C[N+](C)(CC(CBr)(C1=NC(=CC=C1)Cl)O)S(=O)(=O)C2=CC=C(C=C2)S(=O)C

InChI

InChI=1S/C17H21BrClN2O4S2/c1-21(2,12-17(22,11-18)15-5-4-6-16(19)20-15)27(24,25)14-9-7-13(8-10-14)26(3)23/h4-10,22H,11-12H2,1-3H3/q+1