N-(2-methylsulfanylphenyl)-4-methylsulfonyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-methylsulfonyl-2-(phenylsulfonylamino)butanamide Openeye Name: 2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)-4-methylsulfonyl-butanamide CAS Name: 2-(benzenesulfonamido)-4-methylsulfonyl-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-(benzenesulfonamido)-4-mesyl-N-[2-(methylthio)phenyl]butyramide Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S3/c1-26-17-11-7-6-10-15(17)19-18(21)16(12-13-27(2,22)23)20-28(24,25)14-8-4-3-5-9-14/h3-11,16,20H,12-13H2,1-2H3,(H,19,21)