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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(diethylsulfamoyl)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-4-20(5-2)26(23,24)14-8-6-7-13(9-14)17(22)25-11-16(21)15(10-18)12(3)19/h6-9,15,19H,4-5,11H2,1-3H3/t15-/m1/s1