methyl 4-[[4-[4-methyl-3-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[4-methyl-3-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[3-[(2-hydroxy-1,1-dimethyl-ethyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[3-[(2-hydroxy-1,1-dimethyl-ethyl)sulfamoyl]-4-methyl-phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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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)NC(C)(C)CO

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)NC(C)(C)CO

InChI

InChI=1S/C27H28N4O5S/c1-17-9-10-19(15-23(17)37(34,35)31-27(2,3)16-32)24-21-7-5-6-8-22(21)25(30-29-24)28-20-13-11-18(12-14-20)26(33)36-4/h5-15,31-32H,16H2,1-4H3,(H,28,30)