N-methyl-2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]ethanamide

Systemtic Name: N-methyl-2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]ethanamide Openeye Name: N-methyl-2-[4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]phenoxy]acetamide CAS Name: N-methyl-2-[4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]phenoxy]acetamide IUPAC Name: N-methyl-2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide Traditional Name: N-methyl-2-[4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]acetamide Formula: C29H31N5O4S MolecularWeight: 545.65254

Click to see the large picture

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)NC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)NC)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H31N5O4S/c1-20-10-11-21(18-26(20)39(36,37)34-16-6-3-7-17-34)28-24-8-4-5-9-25(24)29(33-32-28)31-22-12-14-23(15-13-22)38-19-27(35)30-2/h4-5,8-15,18H,3,6-7,16-17,19H2,1-2H3,(H,30,35)(H,31,33)