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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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