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

Systemtic Name: 4-[4-(3-ethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(3-ethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(3-ethoxyphenyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(3-ethoxyphenyl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(4-m-phenetylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCSC(C3C(=O)O)(C)C

InChI

InChI=1S/C21H25NO5S2/c1-4-27-17-7-5-6-16(14-17)15-8-10-18(11-9-15)29(25,26)22-12-13-28-21(2,3)19(22)20(23)24/h5-11,14,19H,4,12-13H2,1-3H3,(H,23,24)