3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazino]propane-1-sulfonic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)C2=CC=C(C=C2)O

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H20N2O6S/c17-12-3-1-11(2-4-12)14(19)16-7-5-15(6-8-16)9-13(18)10-23(20,21)22/h1-4,13,17-18H,5-10H2,(H,20,21,22)