N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methyl-3-morpholinosulfonyl-phenyl)phthalazin-1-yl]amine Formula: C26H24N4O5S MolecularWeight: 504.55756

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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)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C26H24N4O5S/c1-17-6-7-18(14-24(17)36(31,32)30-10-12-33-13-11-30)25-20-4-2-3-5-21(20)26(29-28-25)27-19-8-9-22-23(15-19)35-16-34-22/h2-9,14-15H,10-13,16H2,1H3,(H,27,29)