4-methyl-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]phthalazin-1-one Formula: C29H25N5O5S MolecularWeight: 555.6043

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=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25N5O5S/c1-20-25-8-4-5-9-26(25)29(35)33(30-20)28-19-23(11-13-27(28)34(36)37)31-14-16-32(17-15-31)40(38,39)24-12-10-21-6-2-3-7-22(21)18-24/h2-13,18-19H,14-17H2,1H3