N-[(3-acetamidophenyl)methyl]-3-methylsulfonyl-propanamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-3-methylsulfonyl-propanamide Openeye Name: N-[(3-acetamidophenyl)methyl]-3-methylsulfonyl-propanamide CAS Name: N-[(3-acetamidophenyl)methyl]-3-methylsulfonylpropanamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-3-methylsulfonylpropanamide Traditional Name: N-(3-acetamidobenzyl)-3-mesyl-propionamide Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CNC(=O)CCS(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CNC(=O)CCS(=O)(=O)C

InChI

InChI=1S/C13H18N2O4S/c1-10(16)15-12-5-3-4-11(8-12)9-14-13(17)6-7-20(2,18)19/h3-5,8H,6-7,9H2,1-2H3,(H,14,17)(H,15,16)