2-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylethanoic acid Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylacetic acid CAS Name: 2-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]sulfonylacetic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-20-12-4-2-3-11(9-12)14-5-7-15(8-6-14)21(18,19)10-13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)