3-(4-chlorophenyl)-2-(phenylsulfonyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylsulfonyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-chlorophenyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile CAS Name: 2-(benzenesulfonyl)-3-(4-chlorophenyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-chlorophenyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile Traditional Name: 2-besyl-3-(4-chlorophenyl)-3,6-dihydro-1H-isoindole-3a-carbonitrile Formula: C21H17ClN2O2S MolecularWeight: 396.88988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2(C(N(CC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1C=CC2(C(N(CC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H17ClN2O2S/c22-18-11-9-16(10-12-18)20-21(15-23)13-5-4-6-17(21)14-24(20)27(25,26)19-7-2-1-3-8-19/h1-3,5-13,20H,4,14H2