1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole

Systemtic Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Openeye Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole CAS Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methyl]-2-(phenoxymethyl)benzimidazole IUPAC Name: 1-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methyl]-2-(phenoxymethyl)benzimidazole Traditional Name: 1-[[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methyl]-2-(phenoxymethyl)benzimidazole Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CN3C4=CC=CC=C4N=C3COC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O5S/c1-20-11-12-22(31(32)33)17-26(20)37(34,35)29-15-13-21(14-16-29)18-30-25-10-6-5-9-24(25)28-27(30)19-36-23-7-3-2-4-8-23/h2-12,17,21H,13-16,18-19H2,1H3