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

Systemtic Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-propyl-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-propyl-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-propyl-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-N-[(4-methylsulfonylphenyl)methyl]-4-propyl-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-N-(4-mesylbenzyl)-4-propyl-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C19H26F3NO4S MolecularWeight: 421.47425

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCOC(C1)(C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H26F3NO4S/c1-3-5-14-6-4-11-27-18(12-14,19(20,21)22)17(24)23-13-15-7-9-16(10-8-15)28(2,25)26/h7-10,14H,3-6,11-13H2,1-2H3,(H,23,24)/t14-,18+/m1/s1