N-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-[(2S)-2,3-bis(oxidanyl)propoxy]pyrimidin-4-yl]azetidine-1-sulfonamide

Systemtic Name: N-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-[(2S)-2,3-bis(oxidanyl)propoxy]pyrimidin-4-yl]azetidine-1-sulfonamide Openeye Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2S)-2,3-dihydroxypropoxy]pyrimidin-4-yl]azetidine-1-sulfonamide CAS Name: N-[2-[(2,3-difluorophenyl)methylthio]-6-[(2S)-2,3-dihydroxypropoxy]-4-pyrimidinyl]-1-azetidinesulfonamide IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2S)-2,3-dihydroxypropoxy]pyrimidin-4-yl]azetidine-1-sulfonamide Traditional Name: N-[2-[(2,3-difluorobenzyl)thio]-6-[(2S)-2,3-dihydroxypropoxy]pyrimidin-4-yl]azetidine-1-sulfonamide Formula: C17H20F2N4O5S2 MolecularWeight: 462.491306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)S(=O)(=O)NC2=CC(=NC(=N2)SCC3=C(C(=CC=C3)F)F)OCC(CO)O

Isomeric SMILES

C1CN(C1)S(=O)(=O)NC2=CC(=NC(=N2)SCC3=C(C(=CC=C3)F)F)OC[C@H](CO)O

InChI

InChI=1S/C17H20F2N4O5S2/c18-13-4-1-3-11(16(13)19)10-29-17-20-14(22-30(26,27)23-5-2-6-23)7-15(21-17)28-9-12(25)8-24/h1,3-4,7,12,24-25H,2,5-6,8-10H2,(H,20,21,22)/t12-/m0/s1