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

Systemtic Name: 2-methyl-5-[4-[[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-5-[4-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: 5-[4-[4-[2-keto-2-(4-phenylpiperazino)ethoxy]anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C33H32N6O4S MolecularWeight: 608.70998

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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)N

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)N

InChI

InChI=1S/C33H32N6O4S/c1-23-11-12-24(21-30(23)44(34,41)42)32-28-9-5-6-10-29(28)33(37-36-32)35-25-13-15-27(16-14-25)43-22-31(40)39-19-17-38(18-20-39)26-7-3-2-4-8-26/h2-16,21H,17-20,22H2,1H3,(H,35,37)(H2,34,41,42)