tert-butyl 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: tert-butyl 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: tert-butyl 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid tert-butyl ester Formula: C17H25NO5S2 MolecularWeight: 387.5141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S2/c1-16(2,3)23-15(20)14-17(4,5)24-11-10-18(14)25(21,22)13-8-6-12(19)7-9-13/h6-9,14,19H,10-11H2,1-5H3