4-(2,2-diphenylethenyl)-1-methyl-2-(4-methylphenyl)sulfonyl-1H-isoquinoline

Systemtic Name: 4-(2,2-diphenylethenyl)-1-methyl-2-(4-methylphenyl)sulfonyl-1H-isoquinoline Openeye Name: 4-(2,2-diphenylvinyl)-1-methyl-2-(p-tolylsulfonyl)-1H-isoquinoline CAS Name: 4-(2,2-diphenylethenyl)-1-methyl-2-(4-methylphenyl)sulfonyl-1H-isoquinoline IUPAC Name: 4-(2,2-diphenylethenyl)-1-methyl-2-(4-methylphenyl)sulfonyl-1H-isoquinoline Traditional Name: 4-(2,2-diphenylvinyl)-1-methyl-2-tosyl-1H-isoquinoline Formula: C31H27NO2S MolecularWeight: 477.61658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1C2=CC=CC=C2C(=CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO2S/c1-23-17-19-28(20-18-23)35(33,34)32-22-27(30-16-10-9-15-29(30)24(32)2)21-31(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-22,24H,1-2H3