3-(3-piperidin-4-ylpropanoylamino)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(3-piperidin-4-ylpropanoylamino)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[3-(4-piperidyl)propanoylamino]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[1-oxo-3-(4-piperidinyl)propyl]amino]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(3-piperidin-4-ylpropanoylamino)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[3-(4-piperidyl)propanoylamino]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propionic acid Formula: C18H24F3N3O5S MolecularWeight: 451.46047

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CNCCC1CCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H24F3N3O5S/c19-18(20,21)13-3-1-2-4-15(13)30(28,29)24-14(17(26)27)11-23-16(25)6-5-12-7-9-22-10-8-12/h1-4,12,14,22,24H,5-11H2,(H,23,25)(H,26,27)