methyl 2-(hexadecylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: methyl 2-(hexadecylsulfonylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(hexadecylsulfonylamino)-3-phenyl-propanoate CAS Name: 2-(hexadecylsulfonylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(hexadecylsulfonylamino)-3-phenylpropanoate Traditional Name: 2-(cetylsulfonylamino)-3-phenyl-propionic acid methyl ester Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C26H45NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(29,30)27-25(26(28)31-2)23-24-20-17-16-18-21-24/h16-18,20-21,25,27H,3-15,19,22-23H2,1-2H3