(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16-9-10-18(29(26,27)23-13-7-4-8-17(23)2)14-19(16)21(25)28-15-20(24)22-11-5-3-6-12-22/h9-10,14,17H,3-8,11-13,15H2,1-2H3