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

Systemtic Name: 3-[4-(2-oxidanyl-3-sulfo-propyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2-hydroxy-3-sulfo-propyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2-hydroxy-3-sulfopropyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2-hydroxy-3-sulfopropyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2-hydroxy-3-sulfo-propyl)piperazine-1-carbonyl]benzoic acid Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c18-13(10-25(22,23)24)9-16-4-6-17(7-5-16)14(19)11-2-1-3-12(8-11)15(20)21/h1-3,8,13,18H,4-7,9-10H2,(H,20,21)(H,22,23,24)