N-[(Z)-4-(4-methylphenyl)-4-oxidanylidene-3-phthalazin-6-yl-but-2-en-2-yl]methanesulfonamide

Systemtic Name: N-[(Z)-4-(4-methylphenyl)-4-oxidanylidene-3-phthalazin-6-yl-but-2-en-2-yl]methanesulfonamide Openeye Name: N-[(Z)-1-methyl-3-oxo-2-phthalazin-6-yl-3-(p-tolyl)prop-1-enyl]methanesulfonamide CAS Name: N-[(Z)-4-(4-methylphenyl)-4-oxo-3-(6-phthalazinyl)but-2-en-2-yl]methanesulfonamide IUPAC Name: N-[(Z)-4-(4-methylphenyl)-4-oxo-3-phthalazin-6-ylbut-2-en-2-yl]methanesulfonamide Traditional Name: N-[(Z)-3-keto-1-methyl-2-phthalazin-6-yl-3-(p-tolyl)prop-1-enyl]methanesulfonamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(C)NS(=O)(=O)C)C2=CC3=CN=NC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C(/C)\NS(=O)(=O)C)/C2=CC3=CN=NC=C3C=C2

InChI

InChI=1S/C20H19N3O3S/c1-13-4-6-15(7-5-13)20(24)19(14(2)23-27(3,25)26)16-8-9-17-11-21-22-12-18(17)10-16/h4-12,23H,1-3H3/b19-14-