2-(4-ethoxyphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-ethoxyphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-ethoxyphenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(4-ethoxyphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-ethoxyphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 6-piperidinosulfonyl-2-p-phenetyl-cinchoninic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C23H24N2O5S/c1-2-30-17-8-6-16(7-9-17)22-15-20(23(26)27)19-14-18(10-11-21(19)24-22)31(28,29)25-12-4-3-5-13-25/h6-11,14-15H,2-5,12-13H2,1H3,(H,26,27)