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

Systemtic Name: 2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C34H27N5O5S MolecularWeight: 617.67368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C34H27N5O5S/c40-34-30-13-7-6-12-29(30)33(25-9-2-1-3-10-25)35-38(34)32-23-27(15-17-31(32)39(41)42)36-18-20-37(21-19-36)45(43,44)28-16-14-24-8-4-5-11-26(24)22-28/h1-17,22-23H,18-21H2