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

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

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

Isomeric SMILES

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

InChI

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