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

Systemtic Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H23NO5S2/c1-22(2)20(21(24)25)23(14-16-29-22)30(26,27)19-12-10-18(11-13-19)28-15-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,14-16H2,1-2H3,(H,24,25)