(phenylmethyl) 2-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-methylsulfonyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-methylsulfonyl-amino]ethanoate Openeye Name: benzyl 2-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-methylsulfonyl-amino]acetate CAS Name: 2-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-methylsulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-methylsulfonylamino]acetate Traditional Name: 2-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-mesyl-amino]acetic acid benzyl ester Formula: C22H24F2N4O5S MolecularWeight: 494.511566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CC(=O)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(CC(=O)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H24F2N4O5S/c1-16(28(34(2,31)32)11-21(29)33-12-17-6-4-3-5-7-17)22(30,13-27-15-25-14-26-27)19-9-8-18(23)10-20(19)24/h3-10,14-16,30H,11-13H2,1-2H3/t16-,22-/m1/s1