6-(azepan-1-ylsulfonyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5-methyl-2-furyl)cinchoninic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-14-6-9-20(28-14)19-13-17(21(24)25)16-12-15(7-8-18(16)22-19)29(26,27)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,24,25)