2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[2-(octylsulfonylamino)ethylthio]phenyl]acetic acid IUPAC Name: 2-[4-[2-(octylsulfonylamino)ethylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(octylsulfonylamino)ethylthio]phenyl]acetic acid Formula: C18H29NO4S2 MolecularWeight: 387.55716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C18H29NO4S2/c1-2-3-4-5-6-7-14-25(22,23)19-12-13-24-17-10-8-16(9-11-17)15-18(20)21/h8-11,19H,2-7,12-15H2,1H3,(H,20,21)