2-[2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]acetic acid CAS Name: 2-[[2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetyl]amino]acetic acid Formula: C18H24N4O5S2 MolecularWeight: 440.53696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCC(=O)O

InChI

InChI=1S/C18H24N4O5S2/c1-2-22-15-7-6-13(29(26,27)21-8-4-3-5-9-21)10-14(15)20-18(22)28-12-16(23)19-11-17(24)25/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,19,23)(H,24,25)