[(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C16H16FN3O5S MolecularWeight: 381.378743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN3O5S/c1-9(25-16(22)13-6-5-10(17)7-14(13)18)15(21)20-11-3-2-4-12(8-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)/t9-/m0/s1