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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)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)NCC2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H19N3O5S/c1-14(22)18(11-21)19(24)13-28-20(25)16-8-5-9-17(10-16)29(26,27)23-12-15-6-3-2-4-7-15/h2-10,18,22-23H,12-13H2,1H3