4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-phthalazin-1-one

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-phthalazin-1-one Openeye Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-methylsulfonyl-phthalazin-1-one CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-methylsulfonyl-1-phthalazinone IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-2-methylsulfonylphthalazin-1-one Traditional Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-2-mesyl-7-methoxy-phthalazin-1-one Formula: C16H13Cl2N3O4S MolecularWeight: 414.26312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O4S/c1-25-9-3-4-10-11(5-9)16(22)21(26(2,23)24)20-15(10)6-12-13(17)7-19-8-14(12)18/h3-5,7-8H,6H2,1-2H3