(3-methoxy-4-methyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-methyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-methoxy-4-methylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-methylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methoxy-4-methyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H21F3N2O4S/c1-14-3-4-15(13-18(14)29-2)19(26)24-9-11-25(12-10-24)30(27,28)17-7-5-16(6-8-17)20(21,22)23/h3-8,13H,9-12H2,1-2H3