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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-methylsulfonylphenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-methylsulfonylphenyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-methylsulfonylphenyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-methylsulfonylphenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(3-mesylphenyl)propionamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H17N3O5S/c1-27(25,26)13-6-4-5-12(11-13)19-16(22)9-10-21-18(24)15-8-3-2-7-14(15)17(23)20-21/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)