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

Systemtic Name: 2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,2,6-trimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25NO6S/c1-17-16-24(21(22(25)26)23(2,3)30-17)31(27,28)20-13-11-19(12-14-20)29-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,15-16H2,1-3H3,(H,25,26)