4-(2,2-diphenylethenyl)-6-methoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinoline

Systemtic Name: 4-(2,2-diphenylethenyl)-6-methoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinoline Openeye Name: 4-(2,2-diphenylvinyl)-6-methoxy-2-(p-tolylsulfonyl)-1H-isoquinoline CAS Name: 4-(2,2-diphenylethenyl)-6-methoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinoline IUPAC Name: 4-(2,2-diphenylethenyl)-6-methoxy-2-(4-methylphenyl)sulfonyl-1H-isoquinoline Traditional Name: 4-(2,2-diphenylvinyl)-6-methoxy-2-tosyl-1H-isoquinoline Formula: C31H27NO3S MolecularWeight: 493.61598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)OC)C(=C2)C=C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)OC)C(=C2)C=C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO3S/c1-23-13-17-29(18-14-23)36(33,34)32-21-26-15-16-28(35-2)20-31(26)27(22-32)19-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,22H,21H2,1-2H3