(2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-cyanophenyl)sulfonylamino]-4-methyl-valerate Formula: C13H15N2O4S- MolecularWeight: 295.3342

Click to see the large picture

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)C[C@@H](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)/p-1/t12-/m0/s1