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

Systemtic Name: (E)-2-diazonio-1-ethoxy-4-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-4-[2-(p-tolylsulfonylcarbamoyl)phenyl]but-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-4-[2-[[(4-methylphenyl)sulfonylamino]-oxomethyl]phenyl]-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-4-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]but-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-4-[2-(tosylcarbamoyl)phenyl]but-1-en-1-olate Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(CCC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\CCC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)/[N+]#N)/[O-]

InChI

InChI=1S/C20H21N3O5S/c1-3-28-20(25)18(22-21)13-10-15-6-4-5-7-17(15)19(24)23-29(26,27)16-11-8-14(2)9-12-16/h4-9,11-12H,3,10,13H2,1-2H3,(H-,23,24,25)/b20-18+