2-chloranyl-5-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-2-3-7-18(24)22-13-5-4-6-15(10-13)28-12-19(25)23-14-8-9-17(21)16(11-14)20(26)27/h4-6,8-11H,2-3,7,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)