4-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]ethyl]thio]methyl]benzoic acid Formula: C33H26ClFN2O4S2 MolecularWeight: 633.151943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)C(=O)O)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)C(=O)O)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

InChI

InChI=1S/C33H26ClFN2O4S2/c34-27-11-9-24-10-15-29(37-31(24)19-27)14-6-22-2-1-3-26(18-22)32(42-21-23-4-7-25(8-5-23)33(38)39)20-36-43(40,41)30-16-12-28(35)13-17-30/h1-19,32,36H,20-21H2,(H,38,39)/b14-6+