(Z)-2-diazonio-1-ethoxy-7-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-oct-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-7-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-oct-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-ethoxy-7-methyl-3-oxo-5-(p-tolylsulfonylamino)oct-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-7-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxo-1-octen-1-olate IUPAC Name: (Z)-2-diazonio-1-ethoxy-7-methyl-5-[(4-methylphenyl)sulfonylamino]-3-oxooct-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-ethoxy-3-keto-7-methyl-5-(tosylamino)oct-1-en-1-olate Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-5-26-18(23)17(20-19)16(22)11-14(10-12(2)3)21-27(24,25)15-8-6-13(4)7-9-15/h6-9,12,14,21H,5,10-11H2,1-4H3