4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]phenyl]sulfonylbutanoic acid

Systemtic Name: 4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]phenyl]sulfonylbutanoic acid Openeye Name: 4-[3-[(E)-2-(7-bromo-2-quinolyl)vinyl]phenyl]sulfonylbutanoic acid CAS Name: 4-[3-[(E)-2-(7-bromo-2-quinolinyl)ethenyl]phenyl]sulfonylbutanoic acid IUPAC Name: 4-[3-[(E)-2-(7-bromoquinolin-2-yl)ethenyl]phenyl]sulfonylbutanoic acid Traditional Name: 4-[3-[(E)-2-(7-bromo-2-quinolyl)vinyl]phenyl]sulfonylbutyric acid Formula: C21H18BrNO4S MolecularWeight: 460.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCC(=O)O)C=CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCC(=O)O)/C=C/C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C21H18BrNO4S/c22-17-9-7-16-8-11-18(23-20(16)14-17)10-6-15-3-1-4-19(13-15)28(26,27)12-2-5-21(24)25/h1,3-4,6-11,13-14H,2,5,12H2,(H,24,25)/b10-6+