[3-(dimethylsulfamoyl)phenyl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H23N3O5S/c1-14(2)24-20(25)18-11-6-5-10-17(18)19(22-24)21(26)29-13-15-8-7-9-16(12-15)30(27,28)23(3)4/h5-12,14H,13H2,1-4H3