methyl 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxidanylidene-phthalazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxidanylidene-phthalazin-2-yl]ethanoate Openeye Name: methyl 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxo-phthalazin-2-yl]acetate CAS Name: 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-2-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetate Traditional Name: 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-keto-phthalazin-2-yl]acetic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)OC)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)OC)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H21N3O5S/c1-13-9-10-14(11-17(13)29(26,27)22(2)3)19-15-7-5-6-8-16(15)20(25)23(21-19)12-18(24)28-4/h5-11H,12H2,1-4H3