6-(azepan-1-ylsulfonyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethyl-3-thienyl)cinchoninic acid Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

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