4-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-(phenylsulfonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-(benzenesulfonamido)phenyl]thio]acetyl]amino]benzoic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S2/c24-20(22-16-8-6-15(7-9-16)21(25)26)14-29-18-12-10-17(11-13-18)23-30(27,28)19-4-2-1-3-5-19/h1-13,23H,14H2,(H,22,24)(H,25,26)