(3aS,4R,7aS)-4-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile

Systemtic Name: (3aS,4R,7aS)-4-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile Openeye Name: (3aS,4R,7aS)-2-(benzenesulfonyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile CAS Name: (3aS,4R,7aS)-2-(benzenesulfonyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile IUPAC Name: (3aS,4R,7aS)-2-(benzenesulfonyl)-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile Traditional Name: (3aS,4R,7aS)-2-besyl-4-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2CN(CC2(C1C3=CC=CC=C3)C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C=C[C@@H]2CN(C[C@@]2([C@H]1C3=CC=CC=C3)C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c22-15-21-16-23(26(24,25)19-11-5-2-6-12-19)14-18(21)10-7-13-20(21)17-8-3-1-4-9-17/h1-12,18,20H,13-14,16H2/t18-,20-,21+/m1/s1