4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2-methylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-2-methyl-thiomorpholine-3-carboxylic acid Formula: C19H20FNO5S2 MolecularWeight: 425.494203

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H20FNO5S2/c1-13-18(19(22)23)21(10-11-27-13)28(24,25)17-8-6-16(7-9-17)26-12-14-2-4-15(20)5-3-14/h2-9,13,18H,10-12H2,1H3,(H,22,23)