(2S)-2-acetamido-N-(3-methylphenyl)-4-methylsulfonyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-(3-methylphenyl)-4-methylsulfonyl-butanamide Openeye Name: (2S)-2-acetamido-4-methylsulfonyl-N-(m-tolyl)butanamide CAS Name: (2S)-2-acetamido-N-(3-methylphenyl)-4-methylsulfonylbutanamide IUPAC Name: (2S)-2-acetamido-N-(3-methylphenyl)-4-methylsulfonylbutanamide Traditional Name: (2S)-2-acetamido-4-mesyl-N-(m-tolyl)butyramide Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C

InChI

InChI=1S/C14H20N2O4S/c1-10-5-4-6-12(9-10)16-14(18)13(15-11(2)17)7-8-21(3,19)20/h4-6,9,13H,7-8H2,1-3H3,(H,15,17)(H,16,18)/t13-/m0/s1