3-azanyl-2-(1,3-benzodioxol-5-ylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-ylsulfonylamino)propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-2-(1,3-benzodioxol-5-ylsulfonylamino)propanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-2-(1,3-benzodioxol-5-ylsulfonylamino)propanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-2-(1,3-benzodioxol-5-ylsulfonylamino)propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-2-(1,3-benzodioxol-5-ylsulfonylamino)propionate; 2,2,2-trifluoroacetate Formula: C12H11F3N2O8S-2 MolecularWeight: 400.28455

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H12N2O6S.C2HF3O2/c11-4-7(10(13)14)12-19(15,16)6-1-2-8-9(3-6)18-5-17-8;3-2(4,5)1(6)7/h1-3,7,12H,4-5,11H2,(H,13,14);(H,6,7)/p-2