2-methylsulfanyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole

Systemtic Name: 2-methylsulfanyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Openeye Name: 2-methylsulfanyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole CAS Name: 2-(methylthio)-1-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzimidazole IUPAC Name: 2-methylsulfanyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Traditional Name: 2-(methylthio)-1-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]benzimidazole Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c1-29-19-20-15-6-2-3-7-16(15)23(19)14-21-10-12-22(13-11-21)30(27,28)18-9-5-4-8-17(18)24(25)26/h2-9H,10-14H2,1H3