2-[4-(4-bromophenyl)piperazin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)piperazin-1-yl]sulfonylethanoic acid Openeye Name: 2-[4-(4-bromophenyl)piperazin-1-yl]sulfonylacetic acid CAS Name: 2-[[4-(4-bromophenyl)-1-piperazinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(4-bromophenyl)piperazin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(4-bromophenyl)piperazino]sulfonylacetic acid Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Br)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Br)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C12H15BrN2O4S/c13-10-1-3-11(4-2-10)14-5-7-15(8-6-14)20(18,19)9-12(16)17/h1-4H,5-9H2,(H,16,17)