6-morpholin-4-ylsulfonyl-2-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-morpholin-4-ylsulfonyl-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-isopropyl-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 6-(4-morpholinylsulfonyl)-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-morpholin-4-ylsulfonyl-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-isopropyl-6-morpholinosulfonyl-cinchoninic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=C1)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=C1)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-11(2)16-10-14(17(20)21)13-9-12(3-4-15(13)18-16)25(22,23)19-5-7-24-8-6-19/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)