2-(3-chloranyl-4-methoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(3-chloro-4-methoxyphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-29-20-7-4-13(10-17(20)22)19-12-16(21(25)26)15-11-14(5-6-18(15)23-19)30(27,28)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3,(H,25,26)