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

Systemtic Name: (3S,3aR,7aS)-3-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile Openeye Name: (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile CAS Name: (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile IUPAC Name: (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile Traditional Name: (3S,3aR,7aS)-2-besyl-3-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:

C1CC2(C(CN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C=C1)C#N

Isomeric SMILES

C1C[C@]2([C@@H](CN([C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C=C1)C#N

InChI

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