2-(5-ethylthiophen-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-ethylthiophen-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-ethyl-2-thienyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(5-ethyl-2-thiophenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-ethylthiophen-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-ethyl-2-thienyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H22N2O4S2/c1-2-14-6-9-20(28-14)19-13-17(21(24)25)16-12-15(7-8-18(16)22-19)29(26,27)23-10-4-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,25)