2-(hexadecylsulfonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(hexadecylsulfonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(hexadecylsulfonylamino)-3-phenyl-propanoic acid CAS Name: 2-(hexadecylsulfonylamino)-3-phenylpropanoic acid IUPAC Name: 2-(hexadecylsulfonylamino)-3-phenylpropanoic acid Traditional Name: 2-(cetylsulfonylamino)-3-phenyl-propionic acid Formula: C25H43NO4S MolecularWeight: 453.67822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31(29,30)26-24(25(27)28)22-23-19-16-15-17-20-23/h15-17,19-20,24,26H,2-14,18,21-22H2,1H3,(H,27,28)