4-[4-(5-chloranyl-2-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)OC)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)OC)C(=O)O)C

InChI

InChI=1S/C20H22ClNO5S2/c1-20(2)18(19(23)24)22(10-11-28-20)29(25,26)15-7-4-13(5-8-15)16-12-14(21)6-9-17(16)27-3/h4-9,12,18H,10-11H2,1-3H3,(H,23,24)