1-[5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-yl]propan-2-one

Systemtic Name: 1-[5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-yl]propan-2-one Openeye Name: 1-[5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-yl]propan-2-one CAS Name: 1-[5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-oxido-2-pyridin-1-iumyl]-2-propanone IUPAC Name: 1-[5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidopyridin-1-ium-2-yl]propan-2-one Traditional Name: 1-[5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-yl]acetone Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=[N+](C=C(C=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)[O-]

Isomeric SMILES

CC(=O)CC1=[N+](C=C(C=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)[O-]

InChI

InChI=1S/C27H26N2O4S/c1-18(30)13-24-11-10-22(17-29(24)31)19-7-5-8-20(14-19)25-16-23(27(2,3)34(4,32)33)15-21-9-6-12-28-26(21)25/h5-12,14-17H,13H2,1-4H3