4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-fluoranyl-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfonyl-phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2-fluoro-4-mesyl-phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C19H19F4N3O3S MolecularWeight: 445.431073

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C19H19F4N3O3S/c1-30(28,29)15-5-6-17(16(20)12-15)25-7-9-26(10-8-25)18(27)24-14-4-2-3-13(11-14)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)