1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-methylsulfonylindolin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(1-mesylindolin-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C16H16N2O4S2 MolecularWeight: 364.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O4S2/c1-24(21,22)18-9-7-12-10-13(5-6-14(12)18)15(19)11-23-16-4-2-3-8-17(16)20/h2-6,8,10H,7,9,11H2,1H3