1-[4-[4-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-(4-methylsulfanyl-3-nitro-benzoyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(4-methylsulfanyl-3-nitrobenzoyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-[4-(methylthio)-3-nitro-benzoyl]benzoyl]piperazino]sulfonylphenyl]ethanone Formula: C27H25N3O7S2 MolecularWeight: 567.6333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O7S2/c1-18(31)19-7-10-21(11-8-19)39(36,37)29-15-13-28(14-16-29)27(33)23-6-4-3-5-22(23)26(32)20-9-12-25(38-2)24(17-20)30(34)35/h3-12,17H,13-16H2,1-2H3