2-(5-chloranyl-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-chloranyl-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-chlorobenzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-benzofuranyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chloro-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-chlorobenzofuran-2-yl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H17ClN2O5S/c23-14-3-6-20-13(9-14)10-21(30-20)19-12-17(22(26)27)16-11-15(4-5-18(16)24-19)31(28,29)25-7-1-2-8-25/h3-6,9-12H,1-2,7-8H2,(H,26,27)