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

Systemtic Name: (2S,4R)-4-butyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-4-butyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-4-butyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-4-butyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-4-butyl-N-(4-mesylbenzyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C20H28F3NO4S MolecularWeight: 435.50083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCOC(C1)(C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCCC[C@@H]1CCCO[C@@](C1)(C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C20H28F3NO4S/c1-3-4-6-15-7-5-12-28-19(13-15,20(21,22)23)18(25)24-14-16-8-10-17(11-9-16)29(2,26)27/h8-11,15H,3-7,12-14H2,1-2H3,(H,24,25)/t15-,19+/m1/s1