2-(2,5-dimethylthiophen-3-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C20H20N2O4S2/c1-12-9-15(13(2)27-12)19-11-17(20(23)24)16-10-14(5-6-18(16)21-19)28(25,26)22-7-3-4-8-22/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,24)