3-oxidanylidenebutan-2-yl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

InChI

InChI=1S/C16H21NO7S/c1-11(18)12(2)24-16(19)14-10-13(4-5-15(14)22-3)25(20,21)17-6-8-23-9-7-17/h4-5,10,12H,6-9H2,1-3H3