2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3

Isomeric SMILES

CC1CN(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO6S/c1-16-15-23(21(22(24)25)17(2)29-16)30(26,27)20-12-10-19(11-13-20)28-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,16-17,21H,14-15H2,1-2H3,(H,24,25)