4-[3-[methylsulfonyl(4-oxidanylundecyl)amino]propyl]benzoic acid

Systemtic Name: 4-[3-[methylsulfonyl(4-oxidanylundecyl)amino]propyl]benzoic acid Openeye Name: 4-[3-[4-hydroxyundecyl(methylsulfonyl)amino]propyl]benzoic acid CAS Name: 4-[3-[4-hydroxyundecyl(methylsulfonyl)amino]propyl]benzoic acid IUPAC Name: 4-[3-[4-hydroxyundecyl(methylsulfonyl)amino]propyl]benzoic acid Traditional Name: 4-[3-[4-hydroxyundecyl(mesyl)amino]propyl]benzoic acid Formula: C22H37NO5S MolecularWeight: 427.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO5S/c1-3-4-5-6-7-11-21(24)12-9-18-23(29(2,27)28)17-8-10-19-13-15-20(16-14-19)22(25)26/h13-16,21,24H,3-12,17-18H2,1-2H3,(H,25,26)