(3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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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@@H](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)/t11-/m0/s1