2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoate IUPAC Name: 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoate Formula: C12H13BrNO4S- MolecularWeight: 347.20492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C12H14BrNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)/p-1