[3-(2-aminocarbonylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(2-aminocarbonylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(2-carbamoylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(2-carbamoylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(2-carbamoylphenyl)phenyl] ester Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F)C(=O)N

InChI

InChI=1S/C17H16F3NO4S/c18-17(19,20)9-4-10-26(23,24)25-13-6-3-5-12(11-13)14-7-1-2-8-15(14)16(21)22/h1-3,5-8,11H,4,9-10H2,(H2,21,22)