8-[[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid

Systemtic Name: 8-[[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid Openeye Name: 8-[[(E)-2-(4-isopropoxyphenyl)vinyl]sulfonylcarbamoylamino]octanoic acid CAS Name: 8-[[oxo-[[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfonylamino]methyl]amino]octanoic acid IUPAC Name: 8-[[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfonylcarbamoylamino]octanoic acid Traditional Name: 8-[[(E)-2-(4-isopropoxyphenyl)vinyl]sulfonylcarbamoylamino]caprylic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=CS(=O)(=O)NC(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C/S(=O)(=O)NC(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C20H30N2O6S/c1-16(2)28-18-11-9-17(10-12-18)13-15-29(26,27)22-20(25)21-14-7-5-3-4-6-8-19(23)24/h9-13,15-16H,3-8,14H2,1-2H3,(H,23,24)(H2,21,22,25)/b15-13+