6-(azepan-1-ylsulfonyl)-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2-methoxy-5-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxy-5-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2-methoxy-5-methyl-phenyl)cinchoninic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C24H26N2O5S/c1-16-7-10-23(31-2)20(13-16)22-15-19(24(27)28)18-14-17(8-9-21(18)25-22)32(29,30)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,28)