[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-keto-2-(3-phenylpropylamino)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)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-19-9-11-22(12-10-19)32(29,30)26-16-13-21(14-17-26)24(28)31-18-23(27)25-15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H,25,27)