N-(2-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(2-methylsulfonylphenyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-methylsulfonylphenyl)butanamide CAS Name: N-(2-methylsulfonylphenyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(2-methylsulfonylphenyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(2-mesylphenyl)butyramide Formula: C18H21NO5S2 MolecularWeight: 395.49304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5S2/c1-25(21,22)17-11-6-5-10-16(17)19-18(20)12-7-13-26(23,24)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,19,20)