4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonic acid

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 4-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonic acid Traditional Name: 4-[2-keto-2-(4-methylpiperazino)ethoxy]besylic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)O

InChI

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