N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21ClN4O5S/c1-2-26-21(28)16-6-4-3-5-15(16)19(24-26)20(27)23-14-7-8-17(22)18(13-14)32(29,30)25-9-11-31-12-10-25/h3-8,13H,2,9-12H2,1H3,(H,23,27)