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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[1-(4-mesylphenyl)ethyl]propionamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H21N3O5S/c1-13(14-7-9-15(10-8-14)29(2,27)28)21-18(24)11-12-23-20(26)17-6-4-3-5-16(17)19(25)22-23/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)