[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]methanone

Systemtic Name: [2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-(5-tetrahydropyran-4-ylisoindolin-2-yl)methanone CAS Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[5-(4-oxanyl)-1,3-dihydroisoindol-2-yl]methanone IUPAC Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-(5-tetrahydropyran-4-ylisoindolin-2-yl)methanone Formula: C25H31NO5S MolecularWeight: 457.58234

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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=C(C2)C=C(C=C3)C4CCOCC4

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC3=C(C2)C=C(C=C3)C4CCOCC4

InChI

InChI=1S/C25H31NO5S/c1-17(2)16-31-24-7-6-22(32(3,28)29)13-23(24)25(27)26-14-20-5-4-19(12-21(20)15-26)18-8-10-30-11-9-18/h4-7,12-13,17-18H,8-11,14-16H2,1-3H3