3-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-5-(ethylamino)-2-fluoranyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 3-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-5-(ethylamino)-2-fluoranyl-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)-2-fluoro-benzamide CAS Name: 3-(1,1-dioxo-2-thiazinanyl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)-2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-(1,1-diketothiazinan-2-yl)-5-(ethylamino)-2-fluoro-benzamide Formula: C31H36F4N4O4S MolecularWeight: 636.700553

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)C(F)(F)F)O)F)N4CCCCS4(=O)=O

Isomeric SMILES

CCNC1=CC(=C(C(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC(=CC=C3)C(F)(F)F)O)F)N4CCCCS4(=O)=O

InChI

InChI=1S/C31H36F4N4O4S/c1-2-37-24-17-25(29(32)27(18-24)39-13-6-7-14-44(39,42)43)30(41)38-26(16-21-9-4-3-5-10-21)28(40)20-36-19-22-11-8-12-23(15-22)31(33,34)35/h3-5,8-12,15,17-18,26,28,36-37,40H,2,6-7,13-14,16,19-20H2,1H3,(H,38,41)/t26-,28+/m0/s1