1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5S/c31-30(32)21-7-6-10-23(17-21)36(33,34)28-15-13-20(14-16-28)18-29-25-12-5-4-11-24(25)27-26(29)19-35-22-8-2-1-3-9-22/h1-12,17,20H,13-16,18-19H2