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

Systemtic Name: 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]-N-phenyl-benzamide Openeye Name: 4-[[4-[4-methyl-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[4-[4-methyl-3-(2-oxolanylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[4-[4-methyl-3-(tetrahydrofurfurylsulfamoyl)phenyl]phthalazin-1-yl]amino]-N-phenyl-benzamide Formula: C33H31N5O4S MolecularWeight: 593.69534

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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)NC5=CC=CC=C5)S(=O)(=O)NCC6CCCO6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)S(=O)(=O)NCC6CCCO6

InChI

InChI=1S/C33H31N5O4S/c1-22-13-14-24(20-30(22)43(40,41)34-21-27-10-7-19-42-27)31-28-11-5-6-12-29(28)32(38-37-31)35-26-17-15-23(16-18-26)33(39)36-25-8-3-2-4-9-25/h2-6,8-9,11-18,20,27,34H,7,10,19,21H2,1H3,(H,35,38)(H,36,39)