2-oxidanyl-3-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 2-oxidanyl-3-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[4-[3-(3-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazino]propane-1-sulfonic acid Formula: C16H24N2O7S MolecularWeight: 388.43596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCOC2=CC=CC(=C2)O

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCOC2=CC=CC(=C2)O

InChI

InChI=1S/C16H24N2O7S/c19-13-2-1-3-15(10-13)25-9-4-16(21)18-7-5-17(6-8-18)11-14(20)12-26(22,23)24/h1-3,10,14,19-20H,4-9,11-12H2,(H,22,23,24)