2-[N-(4-methylphenyl)sulfonyl-S-pyridin-2-yl-sulfonimidoyl]ethanoic acid

Systemtic Name: 2-[N-(4-methylphenyl)sulfonyl-S-pyridin-2-yl-sulfonimidoyl]ethanoic acid Openeye Name: 2-[N-(p-tolylsulfonyl)-S-(2-pyridyl)sulfonimidoyl]acetic acid CAS Name: 2-[N-(4-methylphenyl)sulfonyl-S-(2-pyridinyl)sulfonimidoyl]acetic acid IUPAC Name: 2-[N-(4-methylphenyl)sulfonyl-S-pyridin-2-ylsulfonimidoyl]acetic acid Traditional Name: 2-[S-(2-pyridyl)-N-tosyl-sulfonimidoyl]acetic acid Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC(=O)O)C2=CC=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C14H14N2O5S2/c1-11-5-7-12(8-6-11)23(20,21)16-22(19,10-14(17)18)13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,17,18)