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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-isopropyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-isopropyl-cinchoninic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C19H24N2O4S/c1-13(2)18-12-16(19(22)23)15-11-14(7-8-17(15)20-18)26(24,25)21-9-5-3-4-6-10-21/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,23)