(3S,3aS,7aS)-3-phenyl-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile

Systemtic Name: (3S,3aS,7aS)-3-phenyl-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Openeye Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile CAS Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile IUPAC Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-phenyl-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Traditional Name: (3S,3aS,7aS)-2-besyl-3-phenyl-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C(C2(C=C1)C#N)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

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/h1-6,8-10,12-14,18,20H,7,11,15H2/t18-,20+,21+/m1/s1