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

Systemtic Name: (E)-3-[4-methyl-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-methyl-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methyl-3-(3-pyridin-1-iumylmethylsulfamoyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-methyl-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methyl-3-(pyridin-1-ium-3-ylmethylsulfamoyl)phenyl]acrylate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)[O-])S(=O)(=O)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)[O-])S(=O)(=O)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-12-4-5-13(6-7-16(19)20)9-15(12)23(21,22)18-11-14-3-2-8-17-10-14/h2-10,18H,11H2,1H3,(H,19,20)/b7-6+