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

Systemtic Name: 2-[(2-methylsulfonylphenyl)methyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Openeye Name: 2-[(2-methylsulfonylphenyl)methyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione CAS Name: 2-[(2-methylsulfonylphenyl)methyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione IUPAC Name: 2-[(2-methylsulfonylphenyl)methyl]-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-mesylbenzyl)-5,6,7,8-tetrahydro-4H-isoquinoline-1,3-quinone Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2C(=O)CC3=C(C2=O)CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2C(=O)CC3=C(C2=O)CCCC3

InChI

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