(5-chloranyl-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-(5-methylsulfonyl-2-phenyl-phenyl)methanone

Systemtic Name: (5-chloranyl-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-(5-methylsulfonyl-2-phenyl-phenyl)methanone Openeye Name: (5-chloro-6-morpholino-isoindolin-2-yl)-(5-methylsulfonyl-2-phenyl-phenyl)methanone CAS Name: [5-chloro-6-(4-morpholinyl)-1,3-dihydroisoindol-2-yl]-(5-methylsulfonyl-2-phenylphenyl)methanone IUPAC Name: (5-chloro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-(5-methylsulfonyl-2-phenylphenyl)methanone Traditional Name: (5-chloro-6-morpholino-isoindolin-2-yl)-(5-mesyl-2-phenyl-phenyl)methanone Formula: C26H25ClN2O4S MolecularWeight: 497.0057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3CC4=CC(=C(C=C4C3)Cl)N5CCOCC5

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)N3CC4=CC(=C(C=C4C3)Cl)N5CCOCC5

InChI

InChI=1S/C26H25ClN2O4S/c1-34(31,32)21-7-8-22(18-5-3-2-4-6-18)23(15-21)26(30)29-16-19-13-24(27)25(14-20(19)17-29)28-9-11-33-12-10-28/h2-8,13-15H,9-12,16-17H2,1H3