3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2-hydroxyethyl)piperazino]sulfonylbenzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(CCN1CCO)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c16-9-8-14-4-6-15(7-5-14)21(19,20)12-3-1-2-11(10-12)13(17)18/h1-3,10,16H,4-9H2,(H,17,18)