(2E)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-2-prop-2-enylidene-piperidine-1-carboxylic acid

Systemtic Name: (2E)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-2-prop-2-enylidene-piperidine-1-carboxylic acid Openeye Name: (2E)-2-allylidene-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]sulfonyl-piperidine-1-carboxylic acid CAS Name: (2E)-3-[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]sulfonyl-2-prop-2-enylidene-1-piperidinecarboxylic acid IUPAC Name: (2E)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-2-prop-2-enylidenepiperidine-1-carboxylic acid Traditional Name: (2E)-2-allylidene-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]sulfonyl-piperidine-1-carboxylic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C4CCCN(C4=CC=C)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C\4CCCN(/C4=C/C=C)C(=O)O

InChI

InChI=1S/C26H26N2O5S/c1-3-7-24-25(10-6-15-28(24)26(29)30)34(31,32)21-13-11-20(12-14-21)33-17-19-16-18(2)27-23-9-5-4-8-22(19)23/h3-5,7-9,11-14,16,25H,1,6,10,15,17H2,2H3,(H,29,30)/b24-7+