6-(azepan-1-ylsulfonyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(4-isopropylphenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-p-cumenyl-cinchoninic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-17(2)18-7-9-19(10-8-18)24-16-22(25(28)29)21-15-20(11-12-23(21)26-24)32(30,31)27-13-5-3-4-6-14-27/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,28,29)