(5-chloranyl-6-methoxy-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone

Systemtic Name: (5-chloranyl-6-methoxy-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone Openeye Name: (5-chloro-6-methoxy-isoindolin-2-yl)-(2-isobutoxy-5-methylsulfonyl-phenyl)methanone CAS Name: (5-chloro-6-methoxy-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone IUPAC Name: (5-chloro-6-methoxy-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone Traditional Name: (5-chloro-6-methoxy-isoindolin-2-yl)-(2-isobutoxy-5-mesyl-phenyl)methanone Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC3=CC(=C(C=C3C2)Cl)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC3=CC(=C(C=C3C2)Cl)OC

InChI

InChI=1S/C21H24ClNO5S/c1-13(2)12-28-19-6-5-16(29(4,25)26)9-17(19)21(24)23-10-14-7-18(22)20(27-3)8-15(14)11-23/h5-9,13H,10-12H2,1-4H3