cyanomethyl 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: cyanomethyl 2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: cyanomethyl 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butyric acid cyanomethyl ester Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5S/c1-8(16)11(12(17)20-7-6-14)15-21(18,19)10-4-2-9(13)3-5-10/h2-5,8,11,15-16H,7H2,1H3