[(1R)-1-cyanoethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C13H13N3O4S/c1-10(9-15)20-13(17)11-3-5-12(6-4-11)21(18,19)16-8-2-7-14/h3-6,10,16H,2,8H2,1H3/t10-/m1/s1