N-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-morpholinosulfonylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-morpholin-4-ylsulfonylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(3-morpholinosulfonylphenyl)phthalazine-1-carboxamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O5S/c31-25(27-20-9-6-10-21(17-20)36(33,34)29-13-15-35-16-14-29)24-22-11-4-5-12-23(22)26(32)30(28-24)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2,(H,27,31)