N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(1S)-1-(4-mesylphenyl)ethyl]acetamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H19N3O4S/c1-12(13-7-9-14(10-8-13)27(2,25)26)20-18(23)11-17-15-5-3-4-6-16(15)19(24)22-21-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,22,24)/t12-/m0/s1