1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-1-mesyl-2-methyl-indolin-5-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O4S2/c1-12-9-14-10-13(6-7-15(14)19(12)25(2,22)23)16(20)11-24-17-5-3-4-8-18(17)21/h3-8,10,12H,9,11H2,1-2H3/t12-/m0/s1