4-[4-(2-ethanoylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(2-ethanoylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(2-acetylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(2-acetylphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(2-acetylphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(2-acetylphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C21H23NO5S2/c1-14(23)17-6-4-5-7-18(17)15-8-10-16(11-9-15)29(26,27)22-12-13-28-21(2,3)19(22)20(24)25/h4-11,19H,12-13H2,1-3H3,(H,24,25)