3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(2-thienylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-(thiophen-2-ylsulfonylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[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=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C(=O)O

InChI

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