4-[[(2S)-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[(2S)-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[(1S)-1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(1S)-2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thio]methyl]benzoate Formula: C19H21N2O5S2- MolecularWeight: 421.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C19H22N2O5S2/c1-13(27-12-15-2-6-16(7-3-15)19(23)24)18(22)21-11-10-14-4-8-17(9-5-14)28(20,25)26/h2-9,13H,10-12H2,1H3,(H,21,22)(H,23,24)(H2,20,25,26)/p-1/t13-/m0/s1