4-(4-phenylmethoxyphenyl)sulfonylpyrrolidin-3-ol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(4-phenylmethoxyphenyl)sulfonylpyrrolidin-3-ol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(4-benzyloxyphenyl)sulfonylpyrrolidin-3-ol; 2,2,2-trifluoroacetic acid CAS Name: 4-(4-phenylmethoxyphenyl)sulfonyl-3-pyrrolidinol; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(4-phenylmethoxyphenyl)sulfonylpyrrolidin-3-ol; 2,2,2-trifluoroacetic acid Traditional Name: 4-(4-benzoxyphenyl)sulfonylpyrrolidin-3-ol; 2,2,2-trifluoroacetic acid Formula: C19H20F3NO6S MolecularWeight: 447.42541

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(C(CN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H19NO4S.C2HF3O2/c19-16-10-18-11-17(16)23(20,21)15-8-6-14(7-9-15)22-12-13-4-2-1-3-5-13;3-2(4,5)1(6)7/h1-9,16-19H,10-12H2;(H,6,7)