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

Systemtic Name: (5-chloranyl-6-methyl-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone Openeye Name: (5-chloro-6-methyl-isoindolin-2-yl)-(2-isobutoxy-5-methylsulfonyl-phenyl)methanone CAS Name: (5-chloro-6-methyl-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone IUPAC Name: (5-chloro-6-methyl-1,3-dihydroisoindol-2-yl)-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone Traditional Name: (5-chloro-6-methyl-isoindolin-2-yl)-(2-isobutoxy-5-mesyl-phenyl)methanone Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CN(CC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C2CN(CC2=C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC(C)C)Cl

InChI

InChI=1S/C21H24ClNO4S/c1-13(2)12-27-20-6-5-17(28(4,25)26)9-18(20)21(24)23-10-15-7-14(3)19(22)8-16(15)11-23/h5-9,13H,10-12H2,1-4H3