(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H19ClN2O6S/c1-11-15(12(2)26-19-11)10-25-17(21)14-9-13(3-4-16(14)18)27(22,23)20-5-7-24-8-6-20/h3-4,9H,5-8,10H2,1-2H3