5-bromanyl-2-piperazin-1-yl-benzenesulfonic acid

Systemtic Name: 5-bromanyl-2-piperazin-1-yl-benzenesulfonic acid Openeye Name: 5-bromo-2-piperazin-1-yl-benzenesulfonic acid CAS Name: 5-bromo-2-(1-piperazinyl)benzenesulfonic acid IUPAC Name: 5-bromo-2-piperazin-1-ylbenzenesulfonic acid Traditional Name: 5-bromo-2-piperazino-besylic acid Formula: C10H13BrN2O3S MolecularWeight: 321.19082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)O

InChI

InChI=1S/C10H13BrN2O3S/c11-8-1-2-9(10(7-8)17(14,15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2,(H,14,15,16)