(3-morpholin-4-ylsulfonylphenyl)methyl (2S)-2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (2S)-2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl (2S)-2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (2S)-2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: (2S)-2-(4-chloro-2-methyl-phenoxy)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24ClNO6S/c1-15-12-18(22)6-7-20(15)29-16(2)21(24)28-14-17-4-3-5-19(13-17)30(25,26)23-8-10-27-11-9-23/h3-7,12-13,16H,8-11,14H2,1-2H3/t16-/m0/s1