6-(azepan-1-ylsulfonyl)-2-[2,5-bis(chloranyl)thiophen-3-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-[2,5-bis(chloranyl)thiophen-3-yl]quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dichloro-3-thienyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2,5-dichloro-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dichloro-3-thienyl)cinchoninic acid Formula: C20H18Cl2N2O4S2 MolecularWeight: 485.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=C(SC(=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=C(SC(=C4)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O4S2/c21-18-11-15(19(22)29-18)17-10-14(20(25)26)13-9-12(5-6-16(13)23-17)30(27,28)24-7-3-1-2-4-8-24/h5-6,9-11H,1-4,7-8H2,(H,25,26)