4-chloranyl-3-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-phenyl-2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C26H25ClN2O4S/c1-2-3-12-23(30)28-19-10-7-11-20(16-19)34-24(17-8-5-4-6-9-17)25(31)29-22-15-18(26(32)33)13-14-21(22)27/h4-11,13-16,24H,2-3,12H2,1H3,(H,28,30)(H,29,31)(H,32,33)