2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(4-cyanophenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(4-cyanophenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]-3-methyl-valeric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-3-9(2)12(13(16)17)15-20(18,19)11-6-4-10(8-14)5-7-11/h4-7,9,12,15H,3H2,1-2H3,(H,16,17)