4-[(2-ethylphenyl)methoxy]-2,2,6-trimethyl-3-(phenylsulfonyl)morpholine-3-carboxylic acid

Systemtic Name: 4-[(2-ethylphenyl)methoxy]-2,2,6-trimethyl-3-(phenylsulfonyl)morpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2,2,6-trimethyl-morpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2,2,6-trimethyl-3-morpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2,2,6-trimethylmorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(2-ethylbenzyl)oxy-2,2,6-trimethyl-morpholine-3-carboxylic acid Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CON2CC(OC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CCC1=CC=CC=C1CON2CC(OC(C2(C(=O)O)S(=O)(=O)C3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C23H29NO6S/c1-5-18-11-9-10-12-19(18)16-29-24-15-17(2)30-22(3,4)23(24,21(25)26)31(27,28)20-13-7-6-8-14-20/h6-14,17H,5,15-16H2,1-4H3,(H,25,26)