2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-pyridin-3-yl-propanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(3-pyridyl)propanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-pyridin-3-ylpropanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-methyl-3-(3-pyridyl)propionic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-3-4-12-25-16-7-9-17(10-8-16)26(23,24)19(2,18(21)22)13-15-6-5-11-20-14-15/h5-11,14H,12-13H2,1-2H3,(H,21,22)