N-cyclohexyl-2-methyl-5-[4-[[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: N-cyclohexyl-2-methyl-5-[4-[[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-cyclohexyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: N-cyclohexyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-cyclohexyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: N-cyclohexyl-5-[4-[4-[2-keto-2-(4-phenylpiperazino)ethoxy]anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C39H42N6O4S MolecularWeight: 690.85358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6)S(=O)(=O)NC7CCCCC7

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6)S(=O)(=O)NC7CCCCC7

InChI

InChI=1S/C39H42N6O4S/c1-28-16-17-29(26-36(28)50(47,48)43-31-10-4-2-5-11-31)38-34-14-8-9-15-35(34)39(42-41-38)40-30-18-20-33(21-19-30)49-27-37(46)45-24-22-44(23-25-45)32-12-6-3-7-13-32/h3,6-9,12-21,26,31,43H,2,4-5,10-11,22-25,27H2,1H3,(H,40,42)