4-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-2-oxidanyl-propylidene]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-2-oxidanyl-propylidene]piperidine-1-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]sulfonyl-propylidene]piperidine-1-carboxylic acid CAS Name: 4-[2-hydroxy-3-[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]sulfonylpropylidene]-1-piperidinecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropylidene]piperidine-1-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]sulfonyl-propylidene]piperidine-1-carboxylic acid Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)CC(C=C4CCN(CC4)C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)CC(C=C4CCN(CC4)C(=O)O)O

InChI

InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)16-34-22-6-8-23(9-7-22)35(32,33)17-21(29)15-19-10-12-28(13-11-19)26(30)31/h2-9,14-15,21,29H,10-13,16-17H2,1H3,(H,30,31)