(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C25H22N2O5S/c26-17-20-7-1-2-9-22(20)23-10-3-4-11-24(23)25(28)32-18-19-6-5-8-21(16-19)33(29,30)27-12-14-31-15-13-27/h1-11,16H,12-15,18H2