6-methylsulfonyl-4-phenyl-2-(phenylmethyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isoindol-1-one

Systemtic Name: 6-methylsulfonyl-4-phenyl-2-(phenylmethyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isoindol-1-one Openeye Name: 2-benzyl-6-methylsulfonyl-4-phenyl-3a,4,9,9a-tetrahydro-3H-benzo[f]isoindol-1-one CAS Name: 6-methylsulfonyl-4-phenyl-2-(phenylmethyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isoindol-1-one IUPAC Name: 2-benzyl-6-methylsulfonyl-4-phenyl-3a,4,9,9a-tetrahydro-3H-benzo[f]isoindol-1-one Traditional Name: 2-benzyl-6-mesyl-4-phenyl-3a,4,9,9a-tetrahydro-3H-benz[f]isoindol-1-one Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(CC3C(C2C4=CC=CC=C4)CN(C3=O)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(CC3C(C2C4=CC=CC=C4)CN(C3=O)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C26H25NO3S/c1-31(29,30)21-13-12-20-14-23-24(25(22(20)15-21)19-10-6-3-7-11-19)17-27(26(23)28)16-18-8-4-2-5-9-18/h2-13,15,23-25H,14,16-17H2,1H3