(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O5S/c1-14(22)18(12-21)19(24)13-28-20(25)15-7-6-10-17(11-15)29(26,27)23(2)16-8-4-3-5-9-16/h3-11,18,22H,13H2,1-2H3