N-[3-iodanyl-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[3-iodanyl-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[3-iodo-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[3-iodo-4-[3-methyl-4-(methylthio)phenoxy]phenyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[3-iodo-4-(3-methyl-4-methylsulfanylphenoxy)phenyl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[3-iodo-4-[3-methyl-4-(methylthio)phenoxy]phenyl]-N-mesyl-methanesulfonamide Formula: C16H18INO5S3 MolecularWeight: 527.41729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N(S(=O)(=O)C)S(=O)(=O)C)I)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N(S(=O)(=O)C)S(=O)(=O)C)I)SC

InChI

InChI=1S/C16H18INO5S3/c1-11-9-13(6-8-16(11)24-2)23-15-7-5-12(10-14(15)17)18(25(3,19)20)26(4,21)22/h5-10H,1-4H3