ethyl 2-hexadecoxy-3-oxidanylidene-3-[(3-sulfamoylphenyl)amino]propanoate

Systemtic Name: ethyl 2-hexadecoxy-3-oxidanylidene-3-[(3-sulfamoylphenyl)amino]propanoate Openeye Name: ethyl 2-hexadecoxy-3-oxo-3-(3-sulfamoylanilino)propanoate CAS Name: 2-hexadecoxy-3-oxo-3-(3-sulfamoylanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-hexadecoxy-3-oxo-3-(3-sulfamoylanilino)propanoate Traditional Name: 2-cetyloxy-3-keto-3-(3-sulfamoylanilino)propionic acid ethyl ester Formula: C27H46N2O6S MolecularWeight: 526.72894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)C(=O)OCC

InChI

InChI=1S/C27H46N2O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-35-25(27(31)34-4-2)26(30)29-23-19-18-20-24(22-23)36(28,32)33/h18-20,22,25H,3-17,21H2,1-2H3,(H,29,30)(H2,28,32,33)