2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c25-18(13-30-19-20-16-6-1-2-7-17(16)21-19)22-8-10-23(11-9-22)31(28,29)15-5-3-4-14(12-15)24(26)27/h1-7,12H,8-11,13H2,(H,20,21)