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

Systemtic Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)C

InChI

InChI=1S/C14H19NO5S2/c1-14(2)12(13(16)17)15(8-9-21-14)22(18,19)11-6-4-10(20-3)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1