ethyl 4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[4-(2-cyanoethylsulfamoyl)phenyl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-3-carboxylate CAS Name: 4-[[4-(2-cyanoethylsulfamoyl)phenyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[4-(2-cyanoethylsulfamoyl)benzoyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C17H21N3O5S2/c1-2-25-17(22)15-12-26-11-10-20(15)16(21)13-4-6-14(7-5-13)27(23,24)19-9-3-8-18/h4-7,15,19H,2-3,9-12H2,1H3