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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[5-(4-esylpiperazino)-2-nitro-phenyl]phthalazin-1-one Formula: C26H24ClN5O5S MolecularWeight: 554.01726

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O5S/c1-2-38(36,37)30-15-13-29(14-16-30)20-11-12-23(32(34)35)24(17-20)31-26(33)22-6-4-3-5-21(22)25(28-31)18-7-9-19(27)10-8-18/h3-12,17H,2,13-16H2,1H3