methyl (2R)-4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H19N3O5S2/c1-24-16(21)14-11-19(9-10-25-14)15(20)12-3-5-13(6-4-12)26(22,23)18-8-2-7-17/h3-6,14,18H,2,8-11H2,1H3/t14-/m1/s1