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

Systemtic Name: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenyl-acetic acid CAS Name: 2-[2-(octylsulfonylamino)ethylthio]-2-phenylacetic acid IUPAC Name: 2-[2-(octylsulfonylamino)ethylsulfanyl]-2-phenylacetic acid Traditional Name: 2-[2-(octylsulfonylamino)ethylthio]-2-phenyl-acetic acid Formula: C18H29NO4S2 MolecularWeight: 387.55716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S2/c1-2-3-4-5-6-10-15-25(22,23)19-13-14-24-17(18(20)21)16-11-8-7-9-12-16/h7-9,11-12,17,19H,2-6,10,13-15H2,1H3,(H,20,21)