2-(4-tert-butylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

InChI

InChI=1S/C24H26N2O5S/c1-24(2,3)17-6-4-16(5-7-17)22-15-20(23(27)28)19-14-18(8-9-21(19)25-22)32(29,30)26-10-12-31-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,27,28)