(E)-2-diazonio-1-ethoxy-5-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]pent-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-5-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]pent-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-5-[2-(p-tolylsulfonylcarbamoyl)phenyl]pent-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-5-[2-[[(4-methylphenyl)sulfonylamino]-oxomethyl]phenyl]-1-penten-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-5-[2-[(4-methylphenyl)sulfonylcarbamoyl]phenyl]pent-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-5-[2-(tosylcarbamoyl)phenyl]pent-1-en-1-olate Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(CCCC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\CCCC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C)/[N+]#N)/[O-]

InChI

InChI=1S/C21H23N3O5S/c1-3-29-21(26)19(23-22)10-6-8-16-7-4-5-9-18(16)20(25)24-30(27,28)17-13-11-15(2)12-14-17/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H-,24,25,26)/b21-19+