5-azanyl-2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-keto-valeric acid Formula: C12H12ClF3N2O5S MolecularWeight: 388.74729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NC(CCC(=O)N)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NC(CCC(=O)N)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C12H12ClF3N2O5S/c13-8-2-1-6(5-7(8)12(14,15)16)24(22,23)18-9(11(20)21)3-4-10(17)19/h1-2,5,9,18H,3-4H2,(H2,17,19)(H,20,21)