2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide

Systemtic Name: 2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]ethanamide Openeye Name: 2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide CAS Name: 2-[4-[[4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinyl]amino]phenoxy]acetamide IUPAC Name: 2-[4-[[4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-yl]amino]phenoxy]acetamide Traditional Name: 2-[4-[[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amino]phenoxy]acetamide Formula: C28H30N6O4S MolecularWeight: 546.6406

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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)N)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O4S/c1-19-7-8-20(17-25(19)39(36,37)34-15-13-33(2)14-16-34)27-23-5-3-4-6-24(23)28(32-31-27)30-21-9-11-22(12-10-21)38-18-26(29)35/h3-12,17H,13-16,18H2,1-2H3,(H2,29,35)(H,30,32)