4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonic acid CAS Name: 4-[4-(2-methoxyethyl)-1-piperazinyl]benzenesulfonic acid IUPAC Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(2-methoxyethyl)piperazino]besylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COCCN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-19-11-10-14-6-8-15(9-7-14)12-2-4-13(5-3-12)20(16,17)18/h2-5H,6-11H2,1H3,(H,16,17,18)