4-methoxy-3-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate

Systemtic Name: 4-methoxy-3-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Openeye Name: 4-methoxy-3-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(4-pyridin-1-iumylmethylsulfamoyl)benzoate IUPAC Name: 4-methoxy-3-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(pyridin-1-ium-4-ylmethylsulfamoyl)benzoate Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NCC2=CC=[NH+]C=C2

InChI

InChI=1S/C14H14N2O5S/c1-21-12-3-2-11(14(17)18)8-13(12)22(19,20)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3,(H,17,18)