2-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(4-brosylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C25H22BrN5O5S MolecularWeight: 584.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H22BrN5O5S/c1-17-21-4-2-3-5-22(21)25(32)30(27-17)24-16-19(8-11-23(24)31(33)34)28-12-14-29(15-13-28)37(35,36)20-9-6-18(26)7-10-20/h2-11,16H,12-15H2,1H3