4-[[4-chloranyl-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-chloranyl-3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-chloro-3-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-chloro-3-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-chloro-3-[[3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-chloro-3-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]phenyl]sulfonylamino]benzoic acid Formula: C40H53ClN2O7S MolecularWeight: 741.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C40H53ClN2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-50-38-21-18-17-20-34(38)37(44)30-39(45)42-36-29-33(26-27-35(36)41)51(48,49)43-32-24-22-31(23-25-32)40(46)47/h17-18,20-27,29,43H,2-16,19,28,30H2,1H3,(H,42,45)(H,46,47)