(2-methoxy-5-methyl-phenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27NO6S/c1-17-3-9-21(27-2)19(15-17)16-29-22(24)10-6-18-4-7-20(8-5-18)30(25,26)23-11-13-28-14-12-23/h3-5,7-9,15H,6,10-14,16H2,1-2H3