N-[(4-methylsulfonylphenyl)methyl]-4-(3-oxidanylpropyl)-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-4-(3-oxidanylpropyl)-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: 4-(3-hydroxypropyl)-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: 4-(3-hydroxypropyl)-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: 4-(3-hydroxypropyl)-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: 4-(3-hydroxypropyl)-N-(4-mesylbenzyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C19H26F3NO5S MolecularWeight: 437.47365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26F3NO5S/c1-29(26,27)16-8-6-15(7-9-16)13-23-17(25)18(19(20,21)22)12-14(4-2-10-24)5-3-11-28-18/h6-9,14,24H,2-5,10-13H2,1H3,(H,23,25)