2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoic acid CAS Name: 2-[(4-cyanophenyl)sulfonylamino]-4-methylpentanoic acid IUPAC Name: 2-[(4-cyanophenyl)sulfonylamino]-4-methylpentanoic acid Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]-4-methyl-valeric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-9(2)7-12(13(16)17)15-20(18,19)11-5-3-10(8-14)4-6-11/h3-6,9,12,15H,7H2,1-2H3,(H,16,17)