4-[3-[(4-methyl-4-oxidanyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid

Systemtic Name: 4-[3-[(4-methyl-4-oxidanyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid Openeye Name: 4-[3-[(4-hydroxy-4-methyl-nonyl)-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 4-[3-[(4-hydroxy-4-methylnonyl)-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 4-[3-[(4-hydroxy-4-methylnonyl)-methylsulfonylamino]propyl]benzoic acid Traditional Name: 4-[3-[(4-hydroxy-4-methyl-nonyl)-mesyl-amino]propyl]benzoic acid Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-4-5-6-14-21(2,25)15-8-17-22(28(3,26)27)16-7-9-18-10-12-19(13-11-18)20(23)24/h10-13,25H,4-9,14-17H2,1-3H3,(H,23,24)