ethyl 2-[[2-methyl-5-[4-[(4-methylphenyl)amino]phthalazin-1-yl]phenyl]sulfonylamino]ethanoate

Systemtic Name: ethyl 2-[[2-methyl-5-[4-[(4-methylphenyl)amino]phthalazin-1-yl]phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]phenyl]sulfonylamino]acetate CAS Name: 2-[[2-methyl-5-[4-(4-methylanilino)-1-phthalazinyl]phenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]phenyl]sulfonylamino]acetate Traditional Name: 2-[[2-methyl-5-[4-(p-toluidino)phthalazin-1-yl]phenyl]sulfonylamino]acetic acid ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H26N4O4S/c1-4-34-24(31)16-27-35(32,33)23-15-19(12-11-18(23)3)25-21-7-5-6-8-22(21)26(30-29-25)28-20-13-9-17(2)10-14-20/h5-15,27H,4,16H2,1-3H3,(H,28,30)