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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid (2-anilino-2-keto-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)OCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=CC=C3)C

InChI

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