hexadecyl 3-sulfamoylbenzoate

Systemtic Name: hexadecyl 3-sulfamoylbenzoate Openeye Name: hexadecyl 3-sulfamoylbenzoate CAS Name: 3-sulfamoylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-sulfamoylbenzoate Traditional Name: 3-sulfamoylbenzoic acid cetyl ester Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C23H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(25)21-17-16-18-22(20-21)29(24,26)27/h16-18,20H,2-15,19H2,1H3,(H2,24,26,27)