3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-tert-butylphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-1-one Formula: C24H29F3N2O4S MolecularWeight: 498.55827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C24H29F3N2O4S/c1-23(2,3)18-7-9-20(10-8-18)33-16-11-22(30)28-12-14-29(15-13-28)34(31,32)21-6-4-5-19(17-21)24(25,26)27/h4-10,17H,11-16H2,1-3H3