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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CON2C(COC(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC=C1CON2C(COC(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C

InChI

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