[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C23H25N3O5S/c24-14-7-15-25-32(29,30)20-12-10-19(11-13-20)23(28)31-21(18-8-3-1-4-9-18)22(27)26-16-5-2-6-17-26/h1,3-4,8-13,21,25H,2,5-7,15-17H2/t21-/m0/s1