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

Systemtic Name: (E)-3-[4-(pyridin-1-ium-3-ylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(pyridin-1-ium-3-ylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(3-pyridin-1-iumylsulfamoyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(pyridin-1-ium-3-ylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(pyridin-1-ium-3-ylsulfamoyl)phenyl]acrylate Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S/c17-14(18)8-5-11-3-6-13(7-4-11)21(19,20)16-12-2-1-9-15-10-12/h1-10,16H,(H,17,18)/b8-5+