(3-cyanophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-cyanophenyl)methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (3-cyanobenzyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N2O5S/c1-15-5-6-18(28(24,25)22-7-9-26-10-8-22)12-19(15)20(23)27-14-17-4-2-3-16(11-17)13-21/h2-6,11-12H,7-10,14H2,1H3