(4-pentylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate

Systemtic Name: (4-pentylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate Openeye Name: (4-pentylphenyl) 4-morpholinosulfonylbenzenesulfonate CAS Name: 4-(4-morpholinylsulfonyl)benzenesulfonic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-morpholin-4-ylsulfonylbenzenesulfonate Traditional Name: 4-morpholinosulfonylbenzenesulfonic acid (4-amylphenyl) ester Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27NO6S2/c1-2-3-4-5-18-6-8-19(9-7-18)28-30(25,26)21-12-10-20(11-13-21)29(23,24)22-14-16-27-17-15-22/h6-13H,2-5,14-17H2,1H3