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

Systemtic Name: 4-[3-[methylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoic acid Openeye Name: 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoic acid CAS Name: 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoic acid IUPAC Name: 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoic acid Traditional Name: 4-[3-[4-hydroxynonyl(mesyl)amino]propyl]benzoic acid Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-3-4-5-9-19(22)10-7-16-21(27(2,25)26)15-6-8-17-11-13-18(14-12-17)20(23)24/h11-14,19,22H,3-10,15-16H2,1-2H3,(H,23,24)