[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H33N3O6S/c1-22(2,3)23-20(26)16-31-21(27)18-15-17(32(28,29)25-9-5-4-6-10-25)7-8-19(18)24-11-13-30-14-12-24/h7-8,15H,4-6,9-14,16H2,1-3H3,(H,23,26)