N-(4-methylsulfonylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4-methylsulfonylphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4-methylsulfonylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-methylsulfonylphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(4-mesylphenyl)phthalazine-1-carboxamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4S/c1-31(29,30)18-13-11-17(12-14-18)24-22(27)21-19-9-5-6-10-20(19)23(28)26(25-21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27)