4-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-[(2,6-dimethyl-4-pyridyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-[(2,6-dimethyl-4-pyridyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C21H26N2O5S2/c1-14-11-16(12-15(2)22-14)13-28-17-5-7-18(8-6-17)30(26,27)23-9-10-29-21(3,4)19(23)20(24)25/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,24,25)