5-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate

Systemtic Name: 5-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Openeye Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate CAS Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate IUPAC Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Traditional Name: 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]valerate Formula: C12H12ClF3NO4S- MolecularWeight: 358.74119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCCC(=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCCC(=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3NO4S/c13-10-5-4-8(7-9(10)12(14,15)16)22(20,21)17-6-2-1-3-11(18)19/h4-5,7,17H,1-3,6H2,(H,18,19)/p-1