(2-azanyl-2-oxidanylidene-ethyl) 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-(benzenesulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-phenyl-4-piperidinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-besyl-4-phenyl-isonipecotic acid (2-amino-2-keto-ethyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)OCC(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c21-18(23)15-27-19(24)20(16-7-3-1-4-8-16)11-13-22(14-12-20)28(25,26)17-9-5-2-6-10-17/h1-10H,11-15H2,(H2,21,23)