1-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H28N4O6S2/c1-2-25-18-4-3-16(33(29,30)24-9-11-31-12-10-24)13-17(18)22-21(25)32-14-19(26)23-7-5-15(6-8-23)20(27)28/h3-4,13,15H,2,5-12,14H2,1H3,(H,27,28)