[4-(cyanomethyl)phenyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-(cyanomethyl)phenyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [4-(cyanomethyl)phenyl] 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)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC3=CC=C(C=C3)CC#N

InChI

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