8-[3-(5-methylsulfonyl-1-oxidanidyl-pyridin-1-ium-3-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

Systemtic Name: 8-[3-(5-methylsulfonyl-1-oxidanidyl-pyridin-1-ium-3-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-(5-methylsulfonyl-1-oxido-pyridin-1-ium-3-yl)phenyl]quinoline CAS Name: 8-[3-(5-methylsulfonyl-1-oxido-3-pyridin-1-iumyl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline IUPAC Name: 8-[3-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-(5-mesyl-1-oxido-pyridin-1-ium-3-yl)phenyl]quinoline Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=CC(=C[N+](=C4)[O-])S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4=CC(=C[N+](=C4)[O-])S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O5S2/c1-25(2,34(4,31)32)21-12-19-9-6-10-26-24(19)23(14-21)18-8-5-7-17(11-18)20-13-22(33(3,29)30)16-27(28)15-20/h5-16H,1-4H3