8-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid

Systemtic Name: 8-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid Openeye Name: 8-[[(E)-2-(m-tolyl)vinyl]sulfonylcarbamoylamino]octanoic acid CAS Name: 8-[[[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid Traditional Name: 8-[[(E)-2-(m-tolyl)vinyl]sulfonylcarbamoylamino]caprylic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CS(=O)(=O)NC(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/S(=O)(=O)NC(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-15-8-7-9-16(14-15)11-13-26(24,25)20-18(23)19-12-6-4-2-3-5-10-17(21)22/h7-9,11,13-14H,2-6,10,12H2,1H3,(H,21,22)(H2,19,20,23)/b13-11+