(5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C22H25F3N2O4S MolecularWeight: 470.50511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O4S/c1-15(2)31-20-9-8-18(32(3,29)30)14-19(20)21(28)27-12-10-26(11-13-27)17-6-4-16(5-7-17)22(23,24)25/h4-9,14-15H,10-13H2,1-3H3