methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-2-(3-phenoxyphenyl)ethanoate

Systemtic Name: methyl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-2-(3-phenoxyphenyl)ethanoate Openeye Name: methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-2-(3-phenoxyphenyl)acetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-2-(3-phenoxyphenyl)acetic acid methyl ester IUPAC Name: methyl 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-2-(3-phenoxyphenyl)acetate Traditional Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfonyl-2-(3-phenoxyphenyl)acetic acid methyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC(=O)C(C1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H17NO6S/c1-26-20(22)19(28(24,25)18-12-5-6-13-21(18)23)15-8-7-11-17(14-15)27-16-9-3-2-4-10-16/h2-14,19H,1H3