[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] dodecane-1-sulfonate

Systemtic Name: [4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl] dodecane-1-sulfonate Openeye Name: [4-(2-methyl-2-morpholino-propanoyl)phenyl] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid [4-(2-methyl-2-morpholino-propanoyl)phenyl] ester Formula: C26H43NO5S MolecularWeight: 481.68832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2

InChI

InChI=1S/C26H43NO5S/c1-4-5-6-7-8-9-10-11-12-13-22-33(29,30)32-24-16-14-23(15-17-24)25(28)26(2,3)27-18-20-31-21-19-27/h14-17H,4-13,18-22H2,1-3H3