2-(3-methylsulfonylpropyl)-4-phenacyl-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylsulfonylpropyl)-4-phenacyl-4H-isoquinoline-1,3-dione Openeye Name: 2-(3-methylsulfonylpropyl)-4-phenacyl-4H-isoquinoline-1,3-dione CAS Name: 2-(3-methylsulfonylpropyl)-4-phenacyl-4H-isoquinoline-1,3-dione IUPAC Name: 2-(3-methylsulfonylpropyl)-4-phenacyl-4H-isoquinoline-1,3-dione Traditional Name: 2-(3-mesylpropyl)-4-phenacyl-4H-isoquinoline-1,3-quinone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCN1C(=O)C(C2=CC=CC=C2C1=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)CCCN1C(=O)C(C2=CC=CC=C2C1=O)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-28(26,27)13-7-12-22-20(24)17-11-6-5-10-16(17)18(21(22)25)14-19(23)15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-14H2,1H3