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

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-14-6-8-17(9-7-14)28(25,26)22-12-10-16(11-13-22)19(24)27-15(2)18(23)21-20(3,4)5/h6-9,15-16H,10-13H2,1-5H3,(H,21,23)