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2-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylethanoic acid

2-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylethanoic acid

Systemtic Name:2-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]sulfonylethanoic acid
Openeye Name:2-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylacetic acid
CAS Name:2-[3-[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]phenyl]sulfonylacetic acid
IUPAC Name:2-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylacetic acid
Traditional Name:2-[3-(9-azaspiro[5.5]undecane-3-carbonyl)phenyl]sulfonylacetic acid
Formula: C19H25NO5S
MolecularWeight: 379.4705
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H25NO5S/c21-17(22)13-26(24,25)16-3-1-2-15(12-16)18(23)14-4-6-19(7-5-14)8-10-20-11-9-19/h1-3,12,14,20H,4-11,13H2,(H,21,22)


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