2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C20H22N2O5S/c23-18(13-22-19(24)16-5-1-2-6-17(16)20(22)25)14-7-9-15(10-8-14)28(26,27)21-11-3-4-12-21/h1-2,7-10,16-17H,3-6,11-13H2