methyl 4-[3-[methylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoate

Systemtic Name: methyl 4-[3-[methylsulfonyl(4-oxidanylnonyl)amino]propyl]benzoate Openeye Name: methyl 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoate CAS Name: 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-hydroxynonyl(methylsulfonyl)amino]propyl]benzoate Traditional Name: 4-[3-[4-hydroxynonyl(mesyl)amino]propyl]benzoic acid methyl ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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