ethyl 2-[[5-[4-[(3-aminocarbonyl-4-methoxy-phenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate

Systemtic Name: ethyl 2-[[5-[4-[(3-aminocarbonyl-4-methoxy-phenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[5-[4-(3-carbamoyl-4-methoxy-anilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetate CAS Name: 2-[[5-[4-(3-carbamoyl-4-methoxyanilino)-1-phthalazinyl]-2-methylphenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(3-carbamoyl-4-methoxyanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate Traditional Name: 2-[[5-[4-(3-carbamoyl-4-methoxy-anilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetic acid ethyl ester Formula: C27H27N5O6S MolecularWeight: 549.59818

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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)OC)C(=O)N)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)OC)C(=O)N)C

InChI

InChI=1S/C27H27N5O6S/c1-4-38-24(33)15-29-39(35,36)23-13-17(10-9-16(23)2)25-19-7-5-6-8-20(19)27(32-31-25)30-18-11-12-22(37-3)21(14-18)26(28)34/h5-14,29H,4,15H2,1-3H3,(H2,28,34)(H,30,32)