(2R,3R)-3-oxidanyl-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate

Systemtic Name: (2R,3R)-3-oxidanyl-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate Openeye Name: (2R,3R)-3-hydroxy-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate CAS Name: (2R,3R)-3-hydroxy-3-phenyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoate IUPAC Name: (2R,3R)-3-hydroxy-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate Traditional Name: (2R,3R)-3-hydroxy-3-phenyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionate Formula: C16H16N3O5S2- MolecularWeight: 394.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](C(=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C16H17N3O5S2/c17-26(23,24)12-8-6-11(7-9-12)18-16(25)19-13(15(21)22)14(20)10-4-2-1-3-5-10/h1-9,13-14,20H,(H,21,22)(H2,17,23,24)(H2,18,19,25)/p-1/t13-,14-/m1/s1