N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[1-(4-mesylphenyl)ethyl]phthalazine-1-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13(2)24-21(26)18-8-6-5-7-17(18)19(23-24)20(25)22-14(3)15-9-11-16(12-10-15)29(4,27)28/h5-14H,1-4H3,(H,22,25)