methyl 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4S/c1-8(2)12(13(17)20-3)16-21(18,19)11-6-10(14)5-4-9(11)7-15/h4-6,8,12,16H,1-3H3