[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-18-8-10-22(11-9-18)32(29,30)26-16-13-21(14-17-26)24(28)31-19(2)23(27)25-15-12-20-6-4-3-5-7-20/h3-11,19,21H,12-17H2,1-2H3,(H,25,27)