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

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-naphthalen-2-yl-isoindole-1,3-dione Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-(2-naphthyl)isoindoline-1,3-dione CAS Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-naphthalenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfonyl-2-naphthalen-2-ylisoindole-1,3-dione Traditional Name: 5-[4-[(3,4-dimethylphenyl)thio]phenyl]sulfonyl-2-(2-naphthyl)isoindoline-1,3-quinone Formula: C32H23NO4S2 MolecularWeight: 549.65932

Click to see the large picture

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=CC6=CC=CC=C6C=C5)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=CC6=CC=CC=C6C=C5)C

InChI

InChI=1S/C32H23NO4S2/c1-20-7-10-26(17-21(20)2)38-25-11-13-27(14-12-25)39(36,37)28-15-16-29-30(19-28)32(35)33(31(29)34)24-9-8-22-5-3-4-6-23(22)18-24/h3-19H,1-2H3