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

Systemtic Name: (E)-3-[4-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-(2-pyridin-1-iumylamino)ethylsulfamoyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(pyridin-1-ium-2-ylamino)ethylsulfamoyl]phenyl]acrylate Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c20-16(21)9-6-13-4-7-14(8-5-13)24(22,23)19-12-11-18-15-3-1-2-10-17-15/h1-10,19H,11-12H2,(H,17,18)(H,20,21)/b9-6+