[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-bis(chloranyl)-5-(2-methylpropylsulfamoyl)benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,4-bis(chloranyl)-5-(2-methylpropylsulfamoyl)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2,4-dichloro-5-(isobutylsulfamoyl)benzoate CAS Name: 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate Traditional Name: 2,4-dichloro-5-(isobutylsulfamoyl)benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19Cl2N3O5S MolecularWeight: 448.32086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC(=O)C(C#N)C(=N)C)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O5S/c1-9(2)7-22-28(25,26)16-4-11(13(18)5-14(16)19)17(24)27-8-15(23)12(6-20)10(3)21/h4-5,9,12,21-22H,7-8H2,1-3H3/t12-/m1/s1