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

Systemtic Name: N-tert-butyl-2-methyl-5-[4-[[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-methyl-5-[4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-5-[4-[4-[2-keto-2-(4-phenylpiperazino)ethoxy]anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C37H40N6O4S MolecularWeight: 664.8163

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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)NC(C)(C)C

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)NC(C)(C)C

InChI

InChI=1S/C37H40N6O4S/c1-26-14-15-27(24-33(26)48(45,46)41-37(2,3)4)35-31-12-8-9-13-32(31)36(40-39-35)38-28-16-18-30(19-17-28)47-25-34(44)43-22-20-42(21-23-43)29-10-6-5-7-11-29/h5-19,24,41H,20-23,25H2,1-4H3,(H,38,40)