[2-methoxy-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(1-oxido-2-pyridin-1-iumyl)sulfonylmethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]phenyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO6S/c1-26-18-13-15(14-28(24,25)19-9-5-6-12-21(19)23)10-11-17(18)27-20(22)16-7-3-2-4-8-16/h2-13H,14H2,1H3