3-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C18H15ClN4O5S/c1-29(27,28)10-6-7-13(19)14(8-10)21-15(24)9-23-18(26)12-5-3-2-4-11(12)16(22-23)17(20)25/h2-8H,9H2,1H3,(H2,20,25)(H,21,24)