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

Systemtic Name: 2-chloranyl-5-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-(2-naphthoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H19ClN2O4S MolecularWeight: 490.95806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H19ClN2O4S/c27-23-11-10-20(14-22(23)26(32)33)28-24(30)15-34-21-7-3-6-19(13-21)29-25(31)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,28,30)(H,29,31)(H,32,33)