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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: 5-[4-(1,3-benzodioxol-5-ylamino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzodioxol-5-ylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-13-6-7-14(10-20(13)31(23,27)28)21-16-4-2-3-5-17(16)22(26-25-21)24-15-8-9-18-19(11-15)30-12-29-18/h2-11H,12H2,1H3,(H,24,26)(H2,23,27,28)