methyl 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C29H24N4O5S MolecularWeight: 540.58966

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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)OC)S(=O)(=O)NC5=CC=C(C=C5)O

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)NC5=CC=C(C=C5)O

InChI

InChI=1S/C29H24N4O5S/c1-18-7-8-20(17-26(18)39(36,37)33-22-13-15-23(34)16-14-22)27-24-5-3-4-6-25(24)28(32-31-27)30-21-11-9-19(10-12-21)29(35)38-2/h3-17,33-34H,1-2H3,(H,30,32)