4-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-[(4-benzyl-1-piperidyl)sulfonyl]-4-methyl-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-benzylpiperidino)sulfonyl-4-methyl-phenyl]-2H-phthalazin-1-one Formula: C27H27N3O3S MolecularWeight: 473.58658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c1-19-11-12-22(26-23-9-5-6-10-24(23)27(31)29-28-26)18-25(19)34(32,33)30-15-13-21(14-16-30)17-20-7-3-2-4-8-20/h2-12,18,21H,13-17H2,1H3,(H,29,31)