5-methylsulfonyl-2-propyl-4-pyridin-3-yloxy-benzoic acid

Systemtic Name: 5-methylsulfonyl-2-propyl-4-pyridin-3-yloxy-benzoic acid Openeye Name: 5-methylsulfonyl-2-propyl-4-(3-pyridyloxy)benzoic acid CAS Name: 5-methylsulfonyl-2-propyl-4-(3-pyridinyloxy)benzoic acid IUPAC Name: 5-methylsulfonyl-2-propyl-4-pyridin-3-yloxybenzoic acid Traditional Name: 5-mesyl-2-propyl-4-(3-pyridyloxy)benzoic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CN=CC=C2

Isomeric SMILES

CCCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CN=CC=C2

InChI

InChI=1S/C16H17NO5S/c1-3-5-11-8-14(22-12-6-4-7-17-10-12)15(23(2,20)21)9-13(11)16(18)19/h4,6-10H,3,5H2,1-2H3,(H,18,19)