4-[4-[4-(trifluoromethyloxy)phenyl]carbonylpiperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 4-[4-[4-(trifluoromethyloxy)phenyl]carbonylpiperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 4-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]sulfonylindane-2-carboxylic acid CAS Name: 4-[[4-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]sulfonyl]-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 4-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 4-[4-[4-(trifluoromethoxy)benzoyl]piperazino]sulfonylindane-2-carboxylic acid Formula: C22H21F3N2O6S MolecularWeight: 498.47215

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC4=C3CC(C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC4=C3CC(C4)C(=O)O

InChI

InChI=1S/C22H21F3N2O6S/c23-22(24,25)33-17-6-4-14(5-7-17)20(28)26-8-10-27(11-9-26)34(31,32)19-3-1-2-15-12-16(21(29)30)13-18(15)19/h1-7,16H,8-13H2,(H,29,30)