2,2,2-tris(fluoranyl)ethyl 2-[(4-methanoylphenyl)-methyl-amino]ethanesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-[(4-methanoylphenyl)-methyl-amino]ethanesulfonate Openeye Name: 2,2,2-trifluoroethyl 2-(4-formyl-N-methyl-anilino)ethanesulfonate CAS Name: 2-(4-formyl-N-methylanilino)ethanesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(4-formyl-N-methylanilino)ethanesulfonate Traditional Name: 2-(4-formyl-N-methyl-anilino)ethanesulfonic acid 2,2,2-trifluoroethyl ester Formula: C12H14F3NO4S MolecularWeight: 325.30407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OCC(F)(F)F)C1=CC=C(C=C1)C=O

Isomeric SMILES

CN(CCS(=O)(=O)OCC(F)(F)F)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C12H14F3NO4S/c1-16(11-4-2-10(8-17)3-5-11)6-7-21(18,19)20-9-12(13,14)15/h2-5,8H,6-7,9H2,1H3