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

Systemtic Name: 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H20BrNO5S2 MolecularWeight: 486.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O)C

InChI

InChI=1S/C19H20BrNO5S2/c1-19(2)17(18(22)23)21(11-12-27-19)28(24,25)16-9-7-15(8-10-16)26-14-5-3-13(20)4-6-14/h3-10,17H,11-12H2,1-2H3,(H,22,23)