4-[3-[(5,5-dimethyl-4-oxidanyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid

Systemtic Name: 4-[3-[(5,5-dimethyl-4-oxidanyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid Openeye Name: 4-[3-[(4-hydroxy-5,5-dimethyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 4-[3-[(4-hydroxy-5,5-dimethylnonyl)-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 4-[3-[(4-hydroxy-5,5-dimethylnonyl)-methylsulfonylamino]propyl]benzoic acid Traditional Name: 4-[3-[(4-hydroxy-5,5-dimethyl-nonyl)-mesyl-amino]propyl]benzoic acid Formula: C22H37NO5S MolecularWeight: 427.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO5S/c1-5-6-15-22(2,3)20(24)10-8-17-23(29(4,27)28)16-7-9-18-11-13-19(14-12-18)21(25)26/h11-14,20,24H,5-10,15-17H2,1-4H3,(H,25,26)