2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-iodanyl-2-methyl-phenyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-iodanyl-2-methyl-phenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-iodo-2-methyl-phenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)butanamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C20H25IN2O3S MolecularWeight: 500.39357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)I)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)I)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C20H25IN2O3S/c1-6-19(20(24)22-18-10-8-16(21)11-15(18)4)23(27(5,25)26)17-9-7-13(2)14(3)12-17/h7-12,19H,6H2,1-5H3,(H,22,24)