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

Systemtic Name: 3-methyl-2-[1-(2-methyl-3-nitro-phenyl)ethylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 3-methyl-2-[1-(2-methyl-3-nitro-phenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 3-methyl-2-[1-(2-methyl-3-nitrophenyl)ethylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 3-methyl-2-[1-(2-methyl-3-nitrophenyl)ethylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 3-methyl-2-[1-(2-methyl-3-nitro-phenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-10-6-5-9-16(18)15(10)23(21,22)12(3)13-7-4-8-14(11(13)2)17(19)20/h4-9,12H,1-3H3