2-[5-[4-(5-iodanylpyrazin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(5-iodanylpyrazin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(5-iodopyrazin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(5-iodo-2-pyrazinyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(5-iodopyrazin-2-yl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(5-iodopyrazin-2-yl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C17H19IN4O4S MolecularWeight: 502.32663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)I)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)I)CC(=O)O

InChI

InChI=1S/C17H19IN4O4S/c1-12-2-3-14(8-13(12)9-17(23)24)27(25,26)22-6-4-21(5-7-22)16-11-19-15(18)10-20-16/h2-3,8,10-11H,4-7,9H2,1H3,(H,23,24)