4-morpholin-4-yl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butane-1-sulfonamide hydrochloride

Systemtic Name: 4-morpholin-4-yl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butane-1-sulfonamide hydrochloride Openeye Name: 4-morpholino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butane-1-sulfonamide hydrochloride CAS Name: 4-(4-morpholinyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-butanesulfonamide hydrochloride IUPAC Name: 4-morpholin-4-yl-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butane-1-sulfonamide hydrochloride Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-4-morpholino-butane-1-sulfonamide hydrochloride Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCS(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

Isomeric SMILES

C1COCCN1CCCCS(=O)(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

InChI

InChI=1S/C22H26N4O4S.ClH/c27-22-20-9-2-1-8-19(20)21(23-24-22)17-6-5-7-18(16-17)25-31(28,29)15-4-3-10-26-11-13-30-14-12-26;/h1-2,5-9,16,25H,3-4,10-15H2,(H,24,27);1H