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

Systemtic Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylate IUPAC Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C13H16NO5S2- MolecularWeight: 330.39984

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)[O-])C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)O)C(=O)[O-])C

InChI

InChI=1S/C13H17NO5S2/c1-13(2)11(12(16)17)14(7-8-20-13)21(18,19)10-5-3-9(15)4-6-10/h3-6,11,15H,7-8H2,1-2H3,(H,16,17)/p-1