2-(3-ethoxyphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxyphenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxyphenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxyphenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxyphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-m-phenetyl-6-piperidinosulfonyl-cinchoninic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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