N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-chloro-5-methylsulfonyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-chloro-5-mesyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O4S/c1-32(30,31)16-11-12-19(24)20(13-16)25-22(28)21-17-9-5-6-10-18(17)23(29)27(26-21)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,28)