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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2-ethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-o-phenetyl-cinchoninic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C24H26N2O5S/c1-2-31-23-10-6-5-9-18(23)22-16-20(24(27)28)19-15-17(11-12-21(19)25-22)32(29,30)26-13-7-3-4-8-14-26/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)