(4-cyanophenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (4-cyanobenzyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O5S/c22-15-18-1-3-19(4-2-18)16-28-21(24)10-7-17-5-8-20(9-6-17)29(25,26)23-11-13-27-14-12-23/h1-6,8-9H,7,10-14,16H2