1-(1H-indol-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-1H-isoquinoline

Systemtic Name: 1-(1H-indol-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-1H-isoquinoline Openeye Name: 1-(1H-indol-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-1H-isoquinoline CAS Name: 1-(1H-indol-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-1H-isoquinoline IUPAC Name: 1-(1H-indol-3-yl)-2-(2,4,6-trimethylphenyl)sulfonyl-1H-isoquinoline Traditional Name: 1-(1H-indol-3-yl)-2-mesitylsulfonyl-1H-isoquinoline Formula: C26H24N2O2S MolecularWeight: 428.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=CC=CC=C3C2C4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=CC=CC=C3C2C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C26H24N2O2S/c1-17-14-18(2)26(19(3)15-17)31(29,30)28-13-12-20-8-4-5-9-21(20)25(28)23-16-27-24-11-7-6-10-22(23)24/h4-16,25,27H,1-3H3