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

Systemtic Name: 3-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,4-dimethyl-thiomorpholine-2-carboxylic acid Openeye Name: 3-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,4-dimethyl-thiomorpholine-2-carboxylic acid CAS Name: 3-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,4-dimethyl-2-thiomorpholinecarboxylic acid IUPAC Name: 3-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,4-dimethylthiomorpholine-2-carboxylic acid Traditional Name: 3-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-2,4-dimethyl-thiomorpholine-2-carboxylic acid Formula: C20H22FNO5S2 MolecularWeight: 439.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1(C(N(CCS1)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H22FNO5S2/c1-20(19(23)24)18(22(2)11-12-28-20)29(25,26)17-9-7-16(8-10-17)27-13-14-3-5-15(21)6-4-14/h3-10,18H,11-13H2,1-2H3,(H,23,24)