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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methyl-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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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)NCC6CCCO6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)NCC6CCCO6

InChI

InChI=1S/C27H26N4O5S/c1-17-8-9-18(13-25(17)37(32,33)28-15-20-5-4-12-34-20)26-21-6-2-3-7-22(21)27(31-30-26)29-19-10-11-23-24(14-19)36-16-35-23/h2-3,6-11,13-14,20,28H,4-5,12,15-16H2,1H3,(H,29,31)