[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H29ClN2O6S MolecularWeight: 472.98276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C21H29ClN2O6S/c1-31(27,28)16-5-6-18(22)17(13-16)20(26)30-14-19(25)23-15-21(7-3-2-4-8-21)24-9-11-29-12-10-24/h5-6,13H,2-4,7-12,14-15H2,1H3,(H,23,25)