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

Systemtic Name: 4-chloranyl-3-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-2-3-4-18(24)22-14-6-8-15(9-7-14)28-12-19(25)23-17-11-13(20(26)27)5-10-16(17)21/h5-11H,2-4,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)