1,1-bis(oxidanylidene)-5-[5-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]thiophen-2-yl]-1,2-thiazol-3-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1,1-bis(oxidanylidene)-5-[5-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]thiophen-2-yl]-1,2-thiazol-3-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-[5-[(4-benzyl-4-hydroxy-1-piperidyl)methyl]-2-thienyl]-1,1-dioxo-isothiazol-3-one; 2,2,2-trifluoroacetic acid CAS Name: 5-[5-[[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]methyl]-2-thiophenyl]-1,1-dioxo-3-isothiazolone; 2,2,2-trifluoroacetic acid IUPAC Name: 5-[5-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]thiophen-2-yl]-1,1-dioxo-1,2-thiazol-3-one; 2,2,2-trifluoroacetic acid Traditional Name: 5-[5-[(4-benzyl-4-hydroxy-piperidino)methyl]-2-thienyl]-1,1-diketo-isothiazol-3-one; 2,2,2-trifluoroacetic acid Formula: C22H23F3N2O6S2 MolecularWeight: 532.55303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)CC3=CC=C(S3)C4=CC(=O)NS4(=O)=O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)CC3=CC=C(S3)C4=CC(=O)NS4(=O)=O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H22N2O4S2.C2HF3O2/c23-19-12-18(28(25,26)21-19)17-7-6-16(27-17)14-22-10-8-20(24,9-11-22)13-15-4-2-1-3-5-15;3-2(4,5)1(6)7/h1-7,12,24H,8-11,13-14H2,(H,21,23);(H,6,7)