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

Systemtic Name: 2-chloranyl-5-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(valerylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-3-4-8-19(25)23-14-6-5-7-16(11-14)29-13(2)20(26)24-15-9-10-18(22)17(12-15)21(27)28/h5-7,9-13H,3-4,8H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)