ethyl 3-bromanyl-4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[2-(5-methylisoxazol-3-yl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[2-(5-methylisoxazol-3-yl)pyrrolidino]sulfonyl-benzoic acid ethyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=NOC(=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=NOC(=C3)C)Br

InChI

InChI=1S/C17H19BrN2O5S/c1-3-24-17(21)12-6-7-16(13(18)10-12)26(22,23)20-8-4-5-15(20)14-9-11(2)25-19-14/h6-7,9-10,15H,3-5,8H2,1-2H3