5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-methoxyphenyl)isoindoline-1,3-quinone Formula: C29H23NO5S2 MolecularWeight: 529.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5OC)C

InChI

InChI=1S/C29H23NO5S2/c1-18-8-9-21(16-19(18)2)36-20-10-12-22(13-11-20)37(33,34)23-14-15-24-25(17-23)29(32)30(28(24)31)26-6-4-5-7-27(26)35-3/h4-17H,1-3H3