4-[(2,5-dimethylphenyl)methoxy]-2,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)methoxy]-2,6-dimethyl-2-(phenylsulfonyl)morpholine-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-2,6-dimethyl-morpholine-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-2,6-dimethyl-3-morpholinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-2,6-dimethylmorpholine-3-carboxylic acid Traditional Name: 2-besyl-4-(2,5-dimethylbenzyl)oxy-2,6-dimethyl-morpholine-3-carboxylic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C(O1)(C)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CN(C(C(O1)(C)S(=O)(=O)C2=CC=CC=C2)C(=O)O)OCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H27NO6S/c1-15-10-11-16(2)18(12-15)14-28-23-13-17(3)29-22(4,20(23)21(24)25)30(26,27)19-8-6-5-7-9-19/h5-12,17,20H,13-14H2,1-4H3,(H,24,25)