(3aS,6R)-6-naphthalen-1-yl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile

Systemtic Name: (3aS,6R)-6-naphthalen-1-yl-2-(phenylsulfonyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Openeye Name: (3aS,6R)-2-(benzenesulfonyl)-6-(1-naphthyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile CAS Name: (3aS,6R)-2-(benzenesulfonyl)-6-(1-naphthalenyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile IUPAC Name: (3aS,6R)-2-(benzenesulfonyl)-6-naphthalen-1-yl-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Traditional Name: (3aS,6R)-2-besyl-6-(1-naphthyl)-1,3,3a,6-tetrahydroisoindole-5-carbonitrile Formula: C25H20N2O2S MolecularWeight: 412.5035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C=C(C(C=C2CN1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C#N

Isomeric SMILES

C1[C@H]2C=C([C@H](C=C2CN1S(=O)(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C25H20N2O2S/c26-15-19-13-20-16-27(30(28,29)22-9-2-1-3-10-22)17-21(20)14-25(19)24-12-6-8-18-7-4-5-11-23(18)24/h1-14,20,25H,16-17H2/t20-,25+/m1/s1