3-(2-chlorophenyl)-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile

Systemtic Name: 3-(2-chlorophenyl)-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Openeye Name: 2-(benzenesulfonyl)-3-(2-chlorophenyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile CAS Name: 2-(benzenesulfonyl)-3-(2-chlorophenyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile IUPAC Name: 2-(benzenesulfonyl)-3-(2-chlorophenyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Traditional Name: 2-besyl-3-(2-chlorophenyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C(C2(C=C1)C#N)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2CN(C(C2(C=C1)C#N)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O2S/c22-19-12-5-4-11-18(19)20-21(15-23)13-7-6-8-16(21)14-24(20)27(25,26)17-9-2-1-3-10-17/h1-5,7,9-13,16,20H,6,8,14H2