5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(2-pyridylmethyl)benzenesulfonamide Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NCC6=CC=CC=N6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NCC6=CC=CC=N6

InChI

InChI=1S/C28H23N5O4S/c1-18-9-10-19(14-26(18)38(34,35)30-16-21-6-4-5-13-29-21)27-22-7-2-3-8-23(22)28(33-32-27)31-20-11-12-24-25(15-20)37-17-36-24/h2-15,30H,16-17H2,1H3,(H,31,33)