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

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-chloro-2-thienyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-thiophenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chlorothiophen-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-chloro-2-thienyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C18H15ClN2O4S2 MolecularWeight: 422.9057

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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=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H15ClN2O4S2/c19-17-6-5-16(26-17)15-10-13(18(22)23)12-9-11(3-4-14(12)20-15)27(24,25)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,22,23)