(Z)-5-(3-cyanophenyl)-1-ethoxy-5-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-3-oxidanylidene-pent-1-ene-2-diazonium

Systemtic Name: (Z)-5-(3-cyanophenyl)-1-ethoxy-5-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-3-oxidanylidene-pent-1-ene-2-diazonium Openeye Name: (Z)-5-(3-cyanophenyl)-1-ethoxy-1-hydroxy-3-oxo-5-(p-tolylsulfonylamino)pent-1-ene-2-diazonium CAS Name: (Z)-5-(3-cyanophenyl)-1-ethoxy-1-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-oxo-1-pentene-2-diazonium IUPAC Name: (Z)-5-(3-cyanophenyl)-1-ethoxy-1-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-oxopent-1-ene-2-diazonium Traditional Name: (Z)-5-(3-cyanophenyl)-1-ethoxy-1-hydroxy-3-keto-5-(tosylamino)pent-1-ene-2-diazonium Formula: C21H21N4O5S+ MolecularWeight: 441.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)CC(C1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)CC(C1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)C)\[N+]#N)/O

InChI

InChI=1S/C21H20N4O5S/c1-3-30-21(27)20(24-23)19(26)12-18(16-6-4-5-15(11-16)13-22)25-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,25H,3,12H2,1-2H3/p+1