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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-morpholino-5-morpholinosulfonyl-benzoate CAS Name: 2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-morpholinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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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)N2CCOCC2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C21H30N2O7S/c1-21(2,3)19(24)15-30-20(25)17-14-16(31(26,27)23-8-12-29-13-9-23)4-5-18(17)22-6-10-28-11-7-22/h4-5,14H,6-13,15H2,1-3H3