2-tert-butyl-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-tert-butyl-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-tert-butyl-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-tert-butyl-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-tert-butyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-tert-butyl-6-morpholinosulfonyl-cinchoninic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-18(2,3)16-11-14(17(21)22)13-10-12(4-5-15(13)19-16)26(23,24)20-6-8-25-9-7-20/h4-5,10-11H,6-9H2,1-3H3,(H,21,22)