3-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(2-hydroxy-3-sulfo-propyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(2-hydroxy-3-sulfo-propyl)piperazino]benzoic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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