1-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetyl]isonipecotic acid Formula: C17H23N3O6S2 MolecularWeight: 429.51102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H23N3O6S2/c21-16(19-5-3-13(4-6-19)17(22)23)12-27-15-2-1-14(11-18-15)28(24,25)20-7-9-26-10-8-20/h1-2,11,13H,3-10,12H2,(H,22,23)