2-[2-(hexadecylsulfonylamino)ethylsulfanyl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(hexadecylsulfonylamino)ethylsulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(hexadecylsulfonylamino)ethylsulfanyl]-2-phenyl-acetic acid CAS Name: 2-[2-(hexadecylsulfonylamino)ethylthio]-2-phenylacetic acid IUPAC Name: 2-[2-(hexadecylsulfonylamino)ethylsulfanyl]-2-phenylacetic acid Traditional Name: 2-[2-(cetylsulfonylamino)ethylthio]-2-phenyl-acetic acid Formula: C26H45NO4S2 MolecularWeight: 499.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C26H45NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33(30,31)27-21-22-32-25(26(28)29)24-19-16-15-17-20-24/h15-17,19-20,25,27H,2-14,18,21-23H2,1H3,(H,28,29)