[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H30N2O5S/c1-16-9-12-22(13-10-16)20(24)15-28-21(25)18-7-5-8-19(14-18)29(26,27)23-11-4-3-6-17(23)2/h5,7-8,14,16-17H,3-4,6,9-13,15H2,1-2H3/t17-/m0/s1