ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate

Systemtic Name: ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetate CAS Name: 2-[[5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylphenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate Traditional Name: 2-[[5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetic acid ethyl ester Formula: C26H24N4O6S MolecularWeight: 520.55696

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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=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H24N4O6S/c1-3-34-24(31)14-27-37(32,33)23-12-17(9-8-16(23)2)25-19-6-4-5-7-20(19)26(30-29-25)28-18-10-11-21-22(13-18)36-15-35-21/h4-13,27H,3,14-15H2,1-2H3,(H,28,30)