N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3H-phthalazine-1-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20N4O5S/c1-13-6-7-14(12-17(13)30(27,28)24-8-10-29-11-9-24)21-20(26)18-15-4-2-3-5-16(15)19(25)23-22-18/h2-7,12H,8-11H2,1H3,(H,21,26)(H,23,25)