3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]sulfonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]sulfonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazol-4-yl]sulfonylamino]propanoic acid dihydrobromide CAS Name: 3-[[1-methyl-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]sulfonylamino]propanoic acid dihydrobromide IUPAC Name: 3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]sulfonylamino]propanoic acid dihydrobromide Traditional Name: 3-[[1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazol-4-yl]sulfonylamino]propionic acid dihydrobromide Formula: C18H28Br2N4O4S MolecularWeight: 556.31232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)S(=O)(=O)NCCC(=O)O)N=C1CCC3CCNCC3.Br.Br

Isomeric SMILES

CN1C2=C(C(=CC=C2)S(=O)(=O)NCCC(=O)O)N=C1CCC3CCNCC3.Br.Br

InChI

InChI=1S/C18H26N4O4S.2BrH/c1-22-14-3-2-4-15(27(25,26)20-12-9-17(23)24)18(14)21-16(22)6-5-13-7-10-19-11-8-13;;/h2-4,13,19-20H,5-12H2,1H3,(H,23,24);2*1H