(3aS,6R)-6-phenyl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile

Systemtic Name: (3aS,6R)-6-phenyl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Openeye Name: (3aS,6R)-2-(benzenesulfonyl)-6-phenyl-1,3,3a,6-tetrahydroisoindole-5-carbonitrile CAS Name: (3aS,6R)-2-(benzenesulfonyl)-6-phenyl-1,3,3a,6-tetrahydroisoindole-5-carbonitrile IUPAC Name: (3aS,6R)-2-(benzenesulfonyl)-6-phenyl-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Traditional Name: (3aS,6R)-2-besyl-6-phenyl-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=C(C(C=C2CN1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1[C@H]2C=C([C@H](C=C2CN1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H18N2O2S/c22-13-17-11-18-14-23(26(24,25)20-9-5-2-6-10-20)15-19(18)12-21(17)16-7-3-1-4-8-16/h1-12,18,21H,14-15H2/t18-,21-/m1/s1