2-(2-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Openeye Name: 2-(2-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione CAS Name: 2-(2-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-mesylphenyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-quinone Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2C(=O)CC3=C(C2=O)CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2C(=O)CC3=C(C2=O)CCCC3

InChI

InChI=1S/C16H17NO4S/c1-22(20,21)14-9-5-4-8-13(14)17-15(18)10-11-6-2-3-7-12(11)16(17)19/h4-5,8-9H,2-3,6-7,10H2,1H3