ethyl 3-bromanyl-4-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 3-bromo-4-(1-pyrrolidinylsulfonyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-bromo-4-pyrrolidinosulfonyl-benzoic acid ethyl ester Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C13H16BrNO4S/c1-2-19-13(16)10-5-6-12(11(14)9-10)20(17,18)15-7-3-4-8-15/h5-6,9H,2-4,7-8H2,1H3