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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-cyanophenyl)methylsulfonylamino]-4-methyl-pentanoic acid CAS Name: 2-[(4-cyanophenyl)methylsulfonylamino]-4-methylpentanoic acid IUPAC Name: 2-[(4-cyanophenyl)methylsulfonylamino]-4-methylpentanoic acid Traditional Name: 2-[(4-cyanobenzyl)sulfonylamino]-4-methyl-valeric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CC(C(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H18N2O4S/c1-10(2)7-13(14(17)18)16-21(19,20)9-12-5-3-11(8-15)4-6-12/h3-6,10,13,16H,7,9H2,1-2H3,(H,17,18)