4-[[4-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-[4-methyl-3-(3-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-[4-methyl-3-(3-pyridinylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-[4-methyl-3-(3-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Formula: C28H24N6O3S MolecularWeight: 524.59356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)S(=O)(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)S(=O)(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H24N6O3S/c1-18-8-9-21(15-25(18)38(36,37)31-17-19-5-4-14-30-16-19)26-23-6-2-3-7-24(23)28(34-33-26)32-22-12-10-20(11-13-22)27(29)35/h2-16,31H,17H2,1H3,(H2,29,35)(H,32,34)