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

Systemtic Name: methyl 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: methyl 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid methyl ester Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4S/c1-18-12(15)9-4-5-10(13)11(8-9)19(16,17)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3