3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-(methylsulfonylamino)benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-(methylsulfonylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(methanesulfonamido)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-5-(methanesulfonamido)benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(methanesulfonamido)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(methanesulfonamido)benzoic acid Formula: C26H24ClNO5S MolecularWeight: 497.99046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24ClNO5S/c1-34(31,32)28-21-13-18(12-19(14-21)26(29)30)22-8-5-9-23(22)24-15-20(27)10-11-25(24)33-16-17-6-3-2-4-7-17/h2-4,6-7,10-15,28H,5,8-9,16H2,1H3,(H,29,30)