[(1S)-1-cyanoethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-1-cyanoethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(1S)-1-cyanoethyl] ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O[C@@H](C)C#N

InChI

InChI=1S/C15H18N2O5S/c1-11-3-4-13(9-14(11)15(18)22-12(2)10-16)23(19,20)17-5-7-21-8-6-17/h3-4,9,12H,5-8H2,1-2H3/t12-/m0/s1