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

Systemtic Name: 2-[4-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-methylsulfanyl-3-nitro-benzoyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-methylsulfanyl-3-nitrobenzoyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(methylthio)-3-nitro-benzoyl]benzoyl]piperazino]sulfonylbenzonitrile Formula: C26H22N4O6S2 MolecularWeight: 550.60608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O6S2/c1-37-23-11-10-18(16-22(23)30(33)34)25(31)20-7-3-4-8-21(20)26(32)28-12-14-29(15-13-28)38(35,36)24-9-5-2-6-19(24)17-27/h2-11,16H,12-15H2,1H3