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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)[O-])S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C14H12N2O4S/c17-14(18)6-3-11-1-4-13(5-2-11)21(19,20)16-12-7-9-15-10-8-12/h1-10H,(H,15,16)(H,17,18)/b6-3+