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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-4-21(5-2)27(24,25)16-8-12(6-7-14(16)18)17(23)26-10-15(22)13(9-19)11(3)20/h6-8,13,20H,4-5,10H2,1-3H3/t13-/m1/s1