2-(4-nitrophenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C18H18N4O7S2 MolecularWeight: 466.48812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7S2/c23-18(13-30-16-6-4-14(5-7-16)21(24)25)19-8-10-20(11-9-19)31(28,29)17-3-1-2-15(12-17)22(26)27/h1-7,12H,8-11,13H2