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

Systemtic Name: 3-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-2-3-7-18(23)21-15-8-10-17(11-9-15)27-13-19(24)22-16-6-4-5-14(12-16)20(25)26/h4-6,8-12H,2-3,7,13H2,1H3,(H,21,23)(H,22,24)(H,25,26)