3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(5-mesyl-2-methyl-phenyl)propionamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C19H19N3O5S/c1-12-7-8-13(28(2,26)27)11-16(12)20-17(23)9-10-22-19(25)15-6-4-3-5-14(15)18(24)21-22/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)