2-[[2,5-dimethyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl]methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[2,5-dimethyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl]methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[2,5-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]phenyl]methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[2,5-dimethyl-4-[(1-oxido-2-pyridin-1-iumyl)sulfonylmethyl]phenyl]methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[[2,5-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]phenyl]methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-[2,5-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CS(=O)(=O)C2=CC=CC=[N+]2[O-])C)CS(=O)(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(C=C1CS(=O)(=O)C2=CC=CC=[N+]2[O-])C)CS(=O)(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H20N2O6S2/c1-15-11-18(14-30(27,28)20-8-4-6-10-22(20)24)16(2)12-17(15)13-29(25,26)19-7-3-5-9-21(19)23/h3-12H,13-14H2,1-2H3