4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(2-thienylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-(2-thienylsulfonylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C19H16N2O5S3 MolecularWeight: 448.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O5S3/c22-17(20-14-5-3-13(4-6-14)19(23)24)12-28-16-9-7-15(8-10-16)21-29(25,26)18-2-1-11-27-18/h1-11,21H,12H2,(H,20,22)(H,23,24)