1-[3-(methylsulfonylmethyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]ethanone

Systemtic Name: 1-[3-(methylsulfonylmethyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]ethanone Openeye Name: 1-[3-(methylsulfonylmethyl)-4-oxido-quinoxalin-4-ium-2-yl]ethanone CAS Name: 1-[3-(methylsulfonylmethyl)-4-oxido-2-quinoxalin-4-iumyl]ethanone IUPAC Name: 1-[3-(methylsulfonylmethyl)-4-oxidoquinoxalin-4-ium-2-yl]ethanone Traditional Name: 1-[3-(mesylmethyl)-4-oxido-quinoxalin-4-ium-2-yl]ethanone Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=CC=CC=C2[N+](=C1CS(=O)(=O)C)[O-]

Isomeric SMILES

CC(=O)C1=NC2=CC=CC=C2[N+](=C1CS(=O)(=O)C)[O-]

InChI

InChI=1S/C12H12N2O4S/c1-8(15)12-11(7-19(2,17)18)14(16)10-6-4-3-5-9(10)13-12/h3-6H,7H2,1-2H3