2-[(E)-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(4-morpholinosulfonylphenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-[4-(4-morpholinylsulfonyl)phenyl]-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(4-morpholinosulfonylphenyl)-2-furyl]vinyl]cinchoninic acid Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)C=CC4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(O3)/C=C/C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C26H22N2O6S/c29-26(30)23-17-19(27-24-4-2-1-3-22(23)24)7-8-20-9-12-25(34-20)18-5-10-21(11-6-18)35(31,32)28-13-15-33-16-14-28/h1-12,17H,13-16H2,(H,29,30)/b8-7+