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

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H22N4O5S/c26-19(10-13-25-21(28)18-9-2-1-8-17(18)20(27)23-25)22-15-6-5-7-16(14-15)31(29,30)24-11-3-4-12-24/h1-2,5-9,14H,3-4,10-13H2,(H,22,26)(H,23,27)