N-methyl-4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide

Systemtic Name: N-methyl-4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: N-methyl-4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: N-methyl-4-[[4-[4-methyl-3-(2-pyridinylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: N-methyl-4-[[4-[4-methyl-3-(pyridin-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Traditional Name: N-methyl-4-[[4-[4-methyl-3-(2-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Formula: C29H26N6O3S MolecularWeight: 538.62014

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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)NC)S(=O)(=O)NCC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC)S(=O)(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C29H26N6O3S/c1-19-10-11-21(17-26(19)39(37,38)32-18-23-7-5-6-16-31-23)27-24-8-3-4-9-25(24)28(35-34-27)33-22-14-12-20(13-15-22)29(36)30-2/h3-17,32H,18H2,1-2H3,(H,30,36)(H,33,35)