(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H27ClN2O6S MolecularWeight: 458.95618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H27ClN2O6S/c1-14-11-23(12-15(2)29-14)30(26,27)18-10-16(6-7-17(18)21)20(25)28-13-19(24)22-8-4-3-5-9-22/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3