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

Systemtic Name: ethyl 2-[[5-[4-[(4-acetamidophenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetate CAS Name: 2-[[5-[4-(4-acetamidoanilino)-1-phthalazinyl]-2-methylphenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate Traditional Name: 2-[[5-[4-(4-acetamidoanilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetic acid ethyl ester Formula: C27H27N5O5S MolecularWeight: 533.59878

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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)NC(=O)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)NC(=O)C)C

InChI

InChI=1S/C27H27N5O5S/c1-4-37-25(34)16-28-38(35,36)24-15-19(10-9-17(24)2)26-22-7-5-6-8-23(22)27(32-31-26)30-21-13-11-20(12-14-21)29-18(3)33/h5-15,28H,4,16H2,1-3H3,(H,29,33)(H,30,32)