[(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [(1S)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H12ClFN2O5S2 MolecularWeight: 406.836883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C14H12ClFN2O5S2/c1-7(13(19)18-9-2-3-11(16)10(15)5-9)23-14(20)8-4-12(24-6-8)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22)/t7-/m0/s1