4-[(3-chlorophenyl)methoxy]-2-methyl-2-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[(3-chlorophenyl)methoxy]-2-methyl-2-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(3-chlorophenyl)methoxy]-2-methyl-thiomorpholine-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(3-chlorophenyl)methoxy]-2-methyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(3-chlorophenyl)methoxy]-2-methylthiomorpholine-3-carboxylic acid Traditional Name: 2-besyl-4-(3-chlorobenzyl)oxy-2-methyl-thiomorpholine-3-carboxylic acid Formula: C19H20ClNO5S2 MolecularWeight: 441.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)OCC2=CC(=CC=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(C(N(CCS1)OCC2=CC(=CC=C2)Cl)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClNO5S2/c1-19(28(24,25)16-8-3-2-4-9-16)17(18(22)23)21(10-11-27-19)26-13-14-6-5-7-15(20)12-14/h2-9,12,17H,10-11,13H2,1H3,(H,22,23)