[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H20ClN3O5S/c1-4-21(5-2)27(24,25)12-6-7-15(18)13(8-12)17(23)26-10-16(22)14(9-19)11(3)20/h6-8,14,20H,4-5,10H2,1-3H3/t14-/m0/s1