2-methyl-5-(4-piperidin-1-ylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-(4-piperidin-1-ylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-[4-(1-piperidyl)phthalazin-1-yl]-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(1-piperidinyl)-1-phthalazinyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-(4-piperidin-1-ylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-(4-piperidinophthalazin-1-yl)-N-(3-pyridylmethyl)benzenesulfonamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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)N4CCCCC4)S(=O)(=O)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCC4)S(=O)(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C26H27N5O2S/c1-19-11-12-21(16-24(19)34(32,33)28-18-20-8-7-13-27-17-20)25-22-9-3-4-10-23(22)26(30-29-25)31-14-5-2-6-15-31/h3-4,7-13,16-17,28H,2,5-6,14-15,18H2,1H3