[(2R)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-(methylsulfanylmethyl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-(methylsulfanylmethyl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(methylsulfanylmethyl)benzoate CAS Name: 4-[(methylthio)methyl]benzoic acid [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-(methylsulfanylmethyl)benzoate Traditional Name: 4-[(methylthio)methyl]benzoic acid [(1R)-2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-12(25-18(22)14-8-6-13(7-9-14)11-26-2)17(21)20-15-4-3-5-16(10-15)27(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,23,24)/t12-/m1/s1