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4-[3-[ethylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoic acid

4-[3-[ethylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoic acid

Systemtic Name:4-[3-[ethylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoic acid
Openeye Name:4-[3-[ethylsulfonyl(4-hydroxynonyl)amino]propyl]benzoic acid
CAS Name:4-[3-[ethylsulfonyl(4-hydroxynonyl)amino]propyl]benzoic acid
IUPAC Name:4-[3-[ethylsulfonyl(4-hydroxynonyl)amino]propyl]benzoic acid
Traditional Name:4-[3-[esyl(4-hydroxynonyl)amino]propyl]benzoic acid
Formula: C21H35NO5S
MolecularWeight: 413.5713
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCN(CCCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)CC)O


Isomeric SMILES

CCCCCC(CCCN(CCCC1=CC=C(C=C1)C(=O)O)S(=O)(=O)CC)O


InChI

InChI=1S/C21H35NO5S/c1-3-5-6-10-20(23)11-8-17-22(28(26,27)4-2)16-7-9-18-12-14-19(15-13-18)21(24)25/h12-15,20,23H,3-11,16-17H2,1-2H3,(H,24,25)


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