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

Systemtic Name: methyl 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: methyl 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid methyl ester Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N2CCCCC2

InChI

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