3-azanyl-2-[(4-phenylphenyl)sulfonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-2-[(4-phenylphenyl)sulfonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-2-[(4-phenylphenyl)sulfonylamino]propanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-2-[(4-phenylphenyl)sulfonylamino]propanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-2-[(4-phenylphenyl)sulfonylamino]propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-2-[(4-phenylphenyl)sulfonylamino]propionate; 2,2,2-trifluoroacetate Formula: C17H15F3N2O6S-2 MolecularWeight: 432.37101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CN)C(=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H16N2O4S.C2HF3O2/c16-10-14(15(18)19)17-22(20,21)13-8-6-12(7-9-13)11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-9,14,17H,10,16H2,(H,18,19);(H,6,7)/p-2