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

Systemtic Name: 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-[4-methyl-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-[4-methyl-3-(2-oxolanylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-[4-methyl-3-(tetrahydrofurfurylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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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)NCC5CCCO5

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)NCC5CCCO5

InChI

InChI=1S/C27H27N5O4S/c1-17-8-9-19(15-24(17)37(34,35)29-16-21-5-4-14-36-21)25-22-6-2-3-7-23(22)27(32-31-25)30-20-12-10-18(11-13-20)26(28)33/h2-3,6-13,15,21,29H,4-5,14,16H2,1H3,(H2,28,33)(H,30,32)