[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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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)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N(C)C)C

InChI

InChI=1S/C25H32N2O5S/c1-17-15-18(2)23(19(3)16-17)33(30,31)27-13-11-21(12-14-27)25(29)32-22(24(28)26(4)5)20-9-7-6-8-10-20/h6-10,15-16,21-22H,11-14H2,1-5H3/t22-/m1/s1