2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]-1H-benzimidazole Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c24-23(25)14-4-3-5-15(12-14)28(26,27)22-10-8-21(9-11-22)13-18-19-16-6-1-2-7-17(16)20-18/h1-7,12H,8-11,13H2,(H,19,20)