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

Systemtic Name: methyl 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-methyl-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-methyl-3-(2-oxolanylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-methyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[4-methyl-3-(tetrahydrofurfurylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

Click to see the large picture

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)OC)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)OC)S(=O)(=O)NCC5CCCO5

InChI

InChI=1S/C28H28N4O5S/c1-18-9-10-20(16-25(18)38(34,35)29-17-22-6-5-15-37-22)26-23-7-3-4-8-24(23)27(32-31-26)30-21-13-11-19(12-14-21)28(33)36-2/h3-4,7-14,16,22,29H,5-6,15,17H2,1-2H3,(H,30,32)