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

Systemtic Name: ethyl 2-[[5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]ethanoate Openeye Name: ethyl 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetate CAS Name: 2-[[5-[4-(3-bromoanilino)-1-phthalazinyl]-2-methylphenyl]sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylphenyl]sulfonylamino]acetate Traditional Name: 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-phenyl]sulfonylamino]acetic acid ethyl ester Formula: C25H23BrN4O4S MolecularWeight: 555.44352

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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(=CC=C4)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O4S/c1-3-34-23(31)15-27-35(32,33)22-13-17(12-11-16(22)2)24-20-9-4-5-10-21(20)25(30-29-24)28-19-8-6-7-18(26)14-19/h4-14,27H,3,15H2,1-2H3,(H,28,30)