(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C23H28N2O5S/c1-15-13-16(2)21(17(3)14-15)31(28,29)25-11-9-19(10-12-25)23(27)30-20(22(24)26)18-7-5-4-6-8-18/h4-8,13-14,19-20H,9-12H2,1-3H3,(H2,24,26)