(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6S/c31-26-24-12-5-4-11-23(24)25(28-30(26)18-20-7-2-1-3-8-20)27(32)36-19-21-9-6-10-22(17-21)37(33,34)29-13-15-35-16-14-29/h1-12,17H,13-16,18-19H2