1-[4-[2-(2-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-(2-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[2-(2-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[2-[(2-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[2-(2-chloro-4-fluorophenyl)sulfanylacetyl]amino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[2-[(2-chloro-4-fluoro-phenyl)thio]acetyl]amino]isonipecotoyl]proline Formula: C19H23ClFN3O4S MolecularWeight: 443.920023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2(CCNCC2)NC(=O)CSC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2(CCNCC2)NC(=O)CSC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C19H23ClFN3O4S/c20-13-10-12(21)3-4-15(13)29-11-16(25)23-19(5-7-22-8-6-19)18(28)24-9-1-2-14(24)17(26)27/h3-4,10,14,22H,1-2,5-9,11H2,(H,23,25)(H,26,27)