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

Systemtic Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-5-9-20(25)23-17-7-6-8-18(14-17)29-19(4-2)21(26)24-16-12-10-15(11-13-16)22(27)28/h6-8,10-14,19H,3-5,9H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)