[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-chloranylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate

Systemtic Name: [(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-chloranylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate Openeye Name: [(1R,2R)-2-chlorosulfonyl-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl] acetate CAS Name: acetic acid [(2R,3R)-3-chlorosulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [(2R,3R)-3-chlorosulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] acetate Traditional Name: acetic acid [(1R,2R)-2-chlorosulfonyl-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propyl] ester Formula: C14H14ClF2N3O4S MolecularWeight: 393.793466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)C)S(=O)(=O)Cl

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)C)S(=O)(=O)Cl

InChI

InChI=1S/C14H14ClF2N3O4S/c1-9(25(15,22)23)14(24-10(2)21,6-20-8-18-7-19-20)12-4-3-11(16)5-13(12)17/h3-5,7-9H,6H2,1-2H3/t9-,14-/m1/s1