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

Systemtic Name: 2-oxidanyl-3-[4-[3-(2-oxidanylphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[4-[3-(2-hydroxyphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[4-[3-(2-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[4-[3-(2-hydroxyphenoxy)propanoyl]piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[4-[3-(2-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=C2O

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)C(=O)CCOC2=CC=CC=C2O

InChI

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