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

Systemtic Name: 3-[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C20H21N5O6S/c1-24(2)32(29,30)12-8-9-16(31-3)15(10-12)22-17(26)11-25-20(28)14-7-5-4-6-13(14)18(23-25)19(21)27/h4-10H,11H2,1-3H3,(H2,21,27)(H,22,26)