2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile Openeye Name: 2-(p-tolylsulfonyl)-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile Traditional Name: 2-tosyl-1,3,4,5,6,7-hexahydroisoindole-5-carbonitrile Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)CC(CC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)CC(CC3)C#N

InChI

InChI=1S/C16H18N2O2S/c1-12-2-6-16(7-3-12)21(19,20)18-10-14-5-4-13(9-17)8-15(14)11-18/h2-3,6-7,13H,4-5,8,10-11H2,1H3