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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5-ethyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5-ethyl-2-thienyl)cinchoninic acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C22H24N2O4S2/c1-2-15-7-10-21(29-15)20-14-18(22(25)26)17-13-16(8-9-19(17)23-20)30(27,28)24-11-5-3-4-6-12-24/h7-10,13-14H,2-6,11-12H2,1H3,(H,25,26)