3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(1S)-1-(4-mesylphenyl)ethyl]-3-methyl-phthalazine-1-carboxamide 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)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H19N3O4S/c1-12(13-8-10-14(11-9-13)27(3,25)26)20-18(23)17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-12H,1-3H3,(H,20,23)/t12-/m0/s1