8-[[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]sulfonylcarbamoylamino]octanoic acid

Systemtic Name: 8-[[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]sulfonylcarbamoylamino]octanoic acid Openeye Name: 8-[[(E)-2-(3-chlorophenyl)-1-methyl-vinyl]sulfonylcarbamoylamino]octanoic acid CAS Name: 8-[[[[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]sulfonylcarbamoylamino]octanoic acid Traditional Name: 8-[[(E)-2-(3-chlorophenyl)-1-methyl-vinyl]sulfonylcarbamoylamino]caprylic acid Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)Cl)S(=O)(=O)NC(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C/C(=C\C1=CC(=CC=C1)Cl)/S(=O)(=O)NC(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C18H25ClN2O5S/c1-14(12-15-8-7-9-16(19)13-15)27(25,26)21-18(24)20-11-6-4-2-3-5-10-17(22)23/h7-9,12-13H,2-6,10-11H2,1H3,(H,22,23)(H2,20,21,24)/b14-12+