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3-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylpropanoic acid

3-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylpropanoic acid

Systemtic Name:3-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylpropanoic acid
Openeye Name:3-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylpropanoic acid
CAS Name:3-[3-[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]phenyl]sulfonylpropanoic acid
IUPAC Name:3-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylpropanoic acid
Traditional Name:3-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylpropionic acid
Formula: C20H27NO5S
MolecularWeight: 393.49708
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)C3=CC(=CC=C3)S(=O)(=O)CCC(=O)O)CCNCC2


Isomeric SMILES

C1CC2(CCC1C(=O)C3=CC(=CC=C3)S(=O)(=O)CCC(=O)O)CCNCC2


InChI

InChI=1S/C20H27NO5S/c22-18(23)6-13-27(25,26)17-3-1-2-16(14-17)19(24)15-4-7-20(8-5-15)9-11-21-12-10-20/h1-3,14-15,21H,4-13H2,(H,22,23)


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