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

Systemtic Name: [4-[2-chloranyl-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: [4-[2-chloro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-isopropoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-[2-chloro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[2-chloro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-[2-chloro-4-(trifluoromethyl)phenyl]piperazino]-(2-isopropoxy-5-mesyl-phenyl)methanone Formula: C22H24ClF3N2O4S MolecularWeight: 504.95017

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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=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClF3N2O4S/c1-14(2)32-20-7-5-16(33(3,30)31)13-17(20)21(29)28-10-8-27(9-11-28)19-6-4-15(12-18(19)23)22(24,25)26/h4-7,12-14H,8-11H2,1-3H3