(3,3-dimethyl-2-oxidanylidene-butyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-22(2,3)20(25)16-30-21(26)18-15-17(31(27,28)24-9-5-4-6-10-24)7-8-19(18)23-11-13-29-14-12-23/h7-8,15H,4-6,9-14,16H2,1-3H3