methyl 2-[4-[2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoylamino]phenoxy]ethanoate Openeye Name: methyl 2-[4-[[2-[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-phthalazin-2-yl]acetyl]amino]phenoxy]acetate CAS Name: 2-[4-[[2-[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2-phthalazinyl]-1-oxoethyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[2-[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxophthalazin-2-yl]acetyl]amino]phenoxy]acetate Traditional Name: 2-[4-[[2-[1-keto-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-2-yl]acetyl]amino]phenoxy]acetic acid methyl ester Formula: C31H32N4O7S MolecularWeight: 604.67338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OCC(=O)OC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC=C(C=C4)OCC(=O)OC)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C31H32N4O7S/c1-21-10-11-22(18-27(21)43(39,40)34-16-6-3-7-17-34)30-25-8-4-5-9-26(25)31(38)35(33-30)19-28(36)32-23-12-14-24(15-13-23)42-20-29(37)41-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,32,36)