(3S,3aS,7aS)-3-naphthalen-1-yl-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile

Systemtic Name: (3S,3aS,7aS)-3-naphthalen-1-yl-2-(phenylsulfonyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Openeye Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-(1-naphthyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile CAS Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-(1-naphthalenyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile IUPAC Name: (3S,3aS,7aS)-2-(benzenesulfonyl)-3-naphthalen-1-yl-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Traditional Name: (3S,3aS,7aS)-2-besyl-3-(1-naphthyl)-3,6,7,7a-tetrahydro-1H-isoindole-3a-carbonitrile Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C(C2(C=C1)C#N)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H]2CN([C@H]([C@@]2(C=C1)C#N)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O2S/c26-18-25-16-7-6-11-20(25)17-27(30(28,29)21-12-2-1-3-13-21)24(25)23-15-8-10-19-9-4-5-14-22(19)23/h1-5,7-10,12-16,20,24H,6,11,17H2/t20-,24+,25+/m1/s1