2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(2-ethylsulfonyl-4-nitro-phenyl)methyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(2-ethylsulfonyl-4-nitrophenyl)methyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(2-ethylsulfonyl-4-nitrophenyl)methyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-esyl-4-nitro-benzyl)-1-oxido-pyridin-1-ium Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=[N+]2[O-]

InChI

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