2-[3-[[(4-prop-1-en-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-prop-1-en-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-isopropenylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(1-methylethenyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-prop-1-en-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-isopropenylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-18(2)21-10-8-19(9-11-21)15-26(32(29,30)23-7-4-12-25-14-23)16-20-5-3-6-22(13-20)31-17-24(27)28/h3-14H,1,15-17H2,2H3,(H,27,28)