[(1R)-1-cyanoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C#N

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C20H22N2O4S/c1-3-4-13-22(18-10-6-5-7-11-18)27(24,25)19-12-8-9-17(14-19)20(23)26-16(2)15-21/h5-12,14,16H,3-4,13H2,1-2H3/t16-/m1/s1