2-[4-methyl-3-(2-methylpropylsulfanyl)-5-(phenylsulfonyl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-methyl-3-(2-methylpropylsulfanyl)-5-(phenylsulfonyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[3-(benzenesulfonyl)-5-isobutylsulfanyl-4-methyl-phenyl]isoindoline-1,3-dione CAS Name: 2-[3-(benzenesulfonyl)-4-methyl-5-(2-methylpropylthio)phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-(benzenesulfonyl)-4-methyl-5-(2-methylpropylsulfanyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[3-besyl-5-(isobutylthio)-4-methyl-phenyl]isoindoline-1,3-quinone Formula: C25H23NO4S2 MolecularWeight: 465.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)SCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)SCC(C)C

InChI

InChI=1S/C25H23NO4S2/c1-16(2)15-31-22-13-18(26-24(27)20-11-7-8-12-21(20)25(26)28)14-23(17(22)3)32(29,30)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3