2-acetamido-4-methylsulfonyl-N-[2,4,5-tris(chloranyl)phenyl]butanamide

Systemtic Name: 2-acetamido-4-methylsulfonyl-N-[2,4,5-tris(chloranyl)phenyl]butanamide Openeye Name: 2-acetamido-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide CAS Name: 2-acetamido-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide IUPAC Name: 2-acetamido-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide Traditional Name: 2-acetamido-4-mesyl-N-(2,4,5-trichlorophenyl)butyramide Formula: C13H15Cl3N2O4S MolecularWeight: 401.6932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C13H15Cl3N2O4S/c1-7(19)17-11(3-4-23(2,21)22)13(20)18-12-6-9(15)8(14)5-10(12)16/h5-6,11H,3-4H2,1-2H3,(H,17,19)(H,18,20)