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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCOCC3

InChI

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