3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3-methylsulfonylphenyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3-methylsulfonylphenyl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(3-methylsulfonylphenyl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(3-methylsulfonylphenyl)propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(3-methylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(3-mesylphenyl)propionamide Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18N2O5S/c1-27(25,26)15-7-4-6-14(12-15)20-17(22)9-10-21-18(23)11-13-5-2-3-8-16(13)19(21)24/h2-8,12H,9-11H2,1H3,(H,20,22)