N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-3-(4-methylpiperazino)sulfonyl-phenyl]phthalazin-1-yl]amine Formula: C27H27N5O4S MolecularWeight: 517.59938

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)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCN(CC6)C

InChI

InChI=1S/C27H27N5O4S/c1-18-7-8-19(15-25(18)37(33,34)32-13-11-31(2)12-14-32)26-21-5-3-4-6-22(21)27(30-29-26)28-20-9-10-23-24(16-20)36-17-35-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,30)