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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2(C(N(CC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1C=CC2(C(N(CC2=C1)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C21H17ClN2O2S/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/h1-5,7-13,20H,6,14H2