N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C20H21F4N3O5S MolecularWeight: 491.456453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)F

InChI

InChI=1S/C20H21F4N3O5S/c1-31-18-7-2-14(12-17(18)21)13-25-19(28)26-8-10-27(11-9-26)33(29,30)16-5-3-15(4-6-16)32-20(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,28)