4-butyl-2-(4-methylphenyl)sulfonyl-9,9a-dihydro-1H-benzo[f]isoindol-3-one

Systemtic Name: 4-butyl-2-(4-methylphenyl)sulfonyl-9,9a-dihydro-1H-benzo[f]isoindol-3-one Openeye Name: 4-butyl-2-(p-tolylsulfonyl)-9,9a-dihydro-1H-benzo[f]isoindol-3-one CAS Name: 4-butyl-2-(4-methylphenyl)sulfonyl-9,9a-dihydro-1H-benzo[f]isoindol-3-one IUPAC Name: 4-butyl-2-(4-methylphenyl)sulfonyl-9,9a-dihydro-1H-benzo[f]isoindol-3-one Traditional Name: 4-butyl-2-tosyl-9,9a-dihydro-1H-benz[f]isoindol-3-one Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(CC3=CC=CC=C31)CN(C2=O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=C2C(CC3=CC=CC=C31)CN(C2=O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H25NO3S/c1-3-4-8-21-20-9-6-5-7-17(20)14-18-15-24(23(25)22(18)21)28(26,27)19-12-10-16(2)11-13-19/h5-7,9-13,18H,3-4,8,14-15H2,1-2H3