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

Systemtic Name: N-[4-[[4-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[4-[4-methyl-3-(3-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]phenyl]acetamide CAS Name: N-[4-[[4-[4-methyl-3-(3-pyridinylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[4-[4-methyl-3-(3-pyridylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]phenyl]acetamide 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)NC(=O)C)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)NC(=O)C)S(=O)(=O)NCC5=CN=CC=C5

InChI

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