2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-(4-iodophenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-iodophenyl)sulfonylpiperazino]acetic acid Formula: C12H15IN2O4S MolecularWeight: 410.22797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H15IN2O4S/c13-10-1-3-11(4-2-10)20(18,19)15-7-5-14(6-8-15)9-12(16)17/h1-4H,5-9H2,(H,16,17)