2-chloranyl-5-[[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C28H27ClN2O4S MolecularWeight: 523.04298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C28H27ClN2O4S/c29-24-16-13-21(17-23(24)28(34)35)31-27(33)25(18-7-3-1-4-8-18)36-22-14-11-20(12-15-22)30-26(32)19-9-5-2-6-10-19/h1,3-4,7-8,11-17,19,25H,2,5-6,9-10H2,(H,30,32)(H,31,33)(H,34,35)