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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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