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

Systemtic Name: (E)-3-[4-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(3-pyridin-1-iumylmethylsulfamoyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]acrylate Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNS(=O)(=O)C2=CC=C(C=C2)C=CC(=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H14N2O4S/c18-15(19)8-5-12-3-6-14(7-4-12)22(20,21)17-11-13-2-1-9-16-10-13/h1-10,17H,11H2,(H,18,19)/b8-5+