1-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-morpholinosulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-morpholinosulfonylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O5S2/c20-16(13-25-17-3-1-2-8-19(17)21)14-4-6-15(7-5-14)26(22,23)18-9-11-24-12-10-18/h1-8H,9-13H2