1-[2-[5-(4-bromophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-(4-bromophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-(4-bromophenyl)-1-isobutyl-imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-(4-bromophenyl)-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-(4-bromophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(4-bromophenyl)-1-isobutyl-imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C(=CN=C1SCC(=O)N2CCC(CC2)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-14(2)12-25-18(15-3-5-17(22)6-4-15)11-23-21(25)29-13-19(26)24-9-7-16(8-10-24)20(27)28/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,27,28)