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

Systemtic Name: [2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]methanone Openeye Name: [2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]-(5-tetrahydropyran-4-ylisoindolin-2-yl)methanone CAS Name: [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[5-(4-oxanyl)-1,3-dihydroisoindol-2-yl]methanone IUPAC Name: [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[5-(oxan-4-yl)-1,3-dihydroisoindol-2-yl]methanone Traditional Name: [2-(cyclopropylmethoxy)-5-mesyl-phenyl]-(5-tetrahydropyran-4-ylisoindolin-2-yl)methanone Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CC2)C(=O)N3CC4=C(C3)C=C(C=C4)C5CCOCC5

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CC2)C(=O)N3CC4=C(C3)C=C(C=C4)C5CCOCC5

InChI

InChI=1S/C25H29NO5S/c1-32(28,29)22-6-7-24(31-16-17-2-3-17)23(13-22)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,2-3,8-11,14-16H2,1H3