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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxyphenyl)cinchoninic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C23H24N2O5S/c1-30-22-9-5-4-8-17(22)21-15-19(23(26)27)18-14-16(10-11-20(18)24-21)31(28,29)25-12-6-2-3-7-13-25/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,26,27)