(2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-phenethyl-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-N-(4-mesylbenzyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C24H28F3NO4S MolecularWeight: 483.54363

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2(CC(CCCO2)CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)[C@@]2(C[C@@H](CCCO2)CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H28F3NO4S/c1-33(30,31)21-13-11-20(12-14-21)17-28-22(29)23(24(25,26)27)16-19(8-5-15-32-23)10-9-18-6-3-2-4-7-18/h2-4,6-7,11-14,19H,5,8-10,15-17H2,1H3,(H,28,29)/t19-,23-/m0/s1