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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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