4-[4-(4-ethylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(4-ethylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-ethylsulfonylpiperazin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(4-ethylsulfonyl-1-piperazinyl)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-ethylsulfonylpiperazin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-esylpiperazino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-2-31(29,30)24-11-9-23(10-12-24)17-8-7-14(13-18(17)25(27)28)19-15-5-3-4-6-16(15)20(26)22-21-19/h3-8,13H,2,9-12H2,1H3,(H,22,26)