methyl 2-(2,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-ethanoate

Systemtic Name: methyl 2-(2,5-dimethylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-ethanoate Openeye Name: methyl 2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-acetate CAS Name: 2-(2,5-dimethylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfonylacetate Traditional Name: 2-(2,5-dimethylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-acetic acid methyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C(=O)OC)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C(=O)OC)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17NO5S/c1-11-7-8-12(2)13(10-11)15(16(18)22-3)23(20,21)14-6-4-5-9-17(14)19/h4-10,15H,1-3H3