(E)-2-diazonio-1-ethoxy-3-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-3-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]prop-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-3-[2-(p-tolylsulfonylcarbamoyl)phenyl]prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[2-[[(4-methylphenyl)sulfonylamino]-oxomethyl]phenyl]-1-propen-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-3-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]prop-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-3-[2-(tosylcarbamoyl)phenyl]prop-1-en-1-olate Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(CC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\CC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)/[N+]#N)/[O-]

InChI

InChI=1S/C19H19N3O5S/c1-3-27-19(24)17(21-20)12-14-6-4-5-7-16(14)18(23)22-28(25,26)15-10-8-13(2)9-11-15/h4-11H,3,12H2,1-2H3,(H-,22,23,24)/b19-17+