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

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dichlorophenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dichlorophenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C20H16Cl2N2O4S MolecularWeight: 451.32304

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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(C=CC(=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O4S/c21-12-3-5-17(22)16(9-12)19-11-15(20(25)26)14-10-13(4-6-18(14)23-19)29(27,28)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8H2,(H,25,26)