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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5-chloro-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5-chloro-2-thienyl)cinchoninic acid Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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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=CC=C(S4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN2O4S2/c21-19-8-7-18(28-19)17-12-15(20(24)25)14-11-13(5-6-16(14)22-17)29(26,27)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10H2,(H,24,25)