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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-20(5-2)18(22)14-26-19(23)16-10-8-11-17(13-16)27(24,25)21-12-7-6-9-15(21)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3/t15-/m0/s1