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

Systemtic Name: tert-butyl 2,2-dimethyl-4-[4-(4-oxidanylbut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C21H29NO6S2 MolecularWeight: 455.58806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H29NO6S2/c1-20(2,3)28-19(24)18-21(4,5)29-15-12-22(18)30(25,26)17-10-8-16(9-11-17)27-14-7-6-13-23/h8-11,18,23H,12-15H2,1-5H3