2-chloranyl-5-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-(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=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

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