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

Systemtic Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-esylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O5S/c1-2-37(35,36)29-16-14-28(15-17-29)20-12-13-23(31(33)34)24(18-20)30-26(32)22-11-7-6-10-21(22)25(27-30)19-8-4-3-5-9-19/h3-13,18H,2,14-17H2,1H3