2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(propargylamino)-2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid Formula: C12H11F3N2O4S MolecularWeight: 336.28695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)O)C(F)(F)F

Isomeric SMILES

C#CCNC1=CC(=C(C=C1)S(=O)(=O)NCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O4S/c1-2-5-16-8-3-4-10(9(6-8)12(13,14)15)22(20,21)17-7-11(18)19/h1,3-4,6,16-17H,5,7H2,(H,18,19)