(E)-3-[4-methoxy-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-methoxy-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-methoxy-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(3-pyridin-1-iumylmethylsulfamoyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-methoxy-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]acrylate Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-23-14-6-4-12(5-7-16(19)20)9-15(14)24(21,22)18-11-13-3-2-8-17-10-13/h2-10,18H,11H2,1H3,(H,19,20)/b7-5+