2-[(2-cyanophenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-cyanophenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-cyanophenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC=C1C#N

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C12H14N2O4S/c1-8(2)11(12(15)16)14-19(17,18)10-6-4-3-5-9(10)7-13/h3-6,8,11,14H,1-2H3,(H,15,16)