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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCC3=CC=C(C=C3)C#N

InChI

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