tert-butyl 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C23H28BrNO5S2 MolecularWeight: 542.50612

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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)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO5S2/c1-22(2,3)30-21(26)20-23(4,5)31-15-14-25(20)32(27,28)19-12-10-18(11-13-19)29-17-8-6-16(24)7-9-17/h6-13,20H,14-15H2,1-5H3