2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-4-mercaptobutanoic acid IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-4-mercapto-butyric acid Formula: C12H13ClF3NO4S2 MolecularWeight: 391.81413

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCS)C(=O)O)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CN(C(CCS)C(=O)O)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO4S2/c1-17(10(4-5-22)11(18)19)23(20,21)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,10,22H,4-5H2,1H3,(H,18,19)