[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@@H]2C

InChI

InChI=1S/C20H30N2O5S/c1-5-20(3,4)21-18(23)14-27-19(24)16-10-8-11-17(13-16)28(25,26)22-12-7-6-9-15(22)2/h8,10-11,13,15H,5-7,9,12,14H2,1-4H3,(H,21,23)/t15-/m0/s1