1-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H22N4O6S/c1-32-19-5-3-2-4-18(19)25-17-7-6-15(26(30)31)12-16(17)23-22(25)33-13-20(27)24-10-8-14(9-11-24)21(28)29/h2-7,12,14H,8-11,13H2,1H3,(H,28,29)