2-[2,5-bis(chloranyl)thiophen-3-yl]-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)thiophen-3-yl]-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dichloro-3-thienyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dichloro-3-thiophenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dichlorothiophen-3-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dichloro-3-thienyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C18H14Cl2N2O4S2 MolecularWeight: 457.35076

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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=C(SC(=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=C(SC(=C4)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O4S2/c19-16-9-13(17(20)27-16)15-8-12(18(23)24)11-7-10(3-4-14(11)21-15)28(25,26)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2,(H,23,24)