N-(2-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(2-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(2-methylsulfonylphenyl)butanamide CAS Name: N-(2-methylsulfonylphenyl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(2-methylsulfonylphenyl)butanamide Traditional Name: 4-(benzylthio)-N-(2-mesylphenyl)butyramide Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S2/c1-24(21,22)17-11-6-5-10-16(17)19-18(20)12-7-13-23-14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,19,20)