(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC3=C(ON=C3C)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC3=C(ON=C3C)C)Br

InChI

InChI=1S/C19H23BrN2O5S/c1-12-4-6-22(7-5-12)28(24,25)17-9-15(8-16(20)10-17)19(23)26-11-18-13(2)21-27-14(18)3/h8-10,12H,4-7,11H2,1-3H3