N-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-ynyl]-N-(2-iodanyl-4-methoxy-phenyl)methanesulfonamide

Systemtic Name: N-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-ynyl]-N-(2-iodanyl-4-methoxy-phenyl)methanesulfonamide Openeye Name: N-[4-(1,3-dioxoisoindolin-2-yl)but-2-ynyl]-N-(2-iodo-4-methoxy-phenyl)methanesulfonamide CAS Name: N-[4-(1,3-dioxo-2-isoindolyl)but-2-ynyl]-N-(2-iodo-4-methoxyphenyl)methanesulfonamide IUPAC Name: N-[4-(1,3-dioxoisoindol-2-yl)but-2-ynyl]-N-(2-iodo-4-methoxyphenyl)methanesulfonamide Traditional Name: N-(2-iodo-4-methoxy-phenyl)-N-(4-phthalimidobut-2-ynyl)methanesulfonamide Formula: C20H17IN2O5S MolecularWeight: 524.32885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC#CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C)I

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC#CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C)I

InChI

InChI=1S/C20H17IN2O5S/c1-28-14-9-10-18(17(21)13-14)23(29(2,26)27)12-6-5-11-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,13H,11-12H2,1-2H3