ethyl 4-[(5-cyano-6-ethoxy-6-oxidanylidene-hexyl)-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[(5-cyano-6-ethoxy-6-oxidanylidene-hexyl)-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[(5-cyano-6-ethoxy-6-oxo-hexyl)-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(5-cyano-6-ethoxy-6-oxohexyl)-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-cyano-6-ethoxy-6-oxohexyl)-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-cyano-6-ethoxy-6-keto-hexyl)-tosyl-amino]benzoic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCCC(C#N)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCCC(C#N)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H30N2O6S/c1-4-32-24(28)20-11-13-22(14-12-20)27(34(30,31)23-15-9-19(3)10-16-23)17-7-6-8-21(18-26)25(29)33-5-2/h9-16,21H,4-8,17H2,1-3H3