ethyl 6-(phenylsulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

Systemtic Name: ethyl 6-(phenylsulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Openeye Name: ethyl 6-(benzenesulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate CAS Name: 6-(benzenesulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate Traditional Name: 6-besyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid ethyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CCC2=CN1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2CC(CCC2=CN1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19NO4S/c1-2-22-17(19)16-15-10-14(9-8-12(15)11-18-16)23(20,21)13-6-4-3-5-7-13/h3-7,11,14,18H,2,8-10H2,1H3