3-methyl-2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 3-methyl-2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 3-methyl-2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 3-methyl-2-[(2-methyl-3-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 3-methyl-2-[(2-methyl-3-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 3-methyl-2-(2-methyl-3-nitro-benzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)[O-])S(=O)(=O)CC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C([N+](=CC=C1)[O-])S(=O)(=O)CC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N2O5S/c1-10-5-4-8-15(17)14(10)22(20,21)9-12-6-3-7-13(11(12)2)16(18)19/h3-8H,9H2,1-2H3