(3S)-2-(4-methylphenyl)sulfonyl-N-(2-phenyl-3H-isoindol-1-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(2-phenyl-3H-isoindol-1-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-phenylisoindolin-1-ylidene)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(2-phenyl-3H-isoindol-1-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(2-phenyl-3H-isoindol-1-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-phenylisoindolin-1-ylidene)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N=C4C5=CC=CC=C5CN4C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N=C4C5=CC=CC=C5CN4C6=CC=CC=C6

InChI

InChI=1S/C31H27N3O3S/c1-22-15-17-27(18-16-22)38(36,37)34-21-24-10-6-5-9-23(24)19-29(34)31(35)32-30-28-14-8-7-11-25(28)20-33(30)26-12-3-2-4-13-26/h2-18,29H,19-21H2,1H3/t29-/m0/s1