[2-fluoranyl-4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] ethanoate

Systemtic Name: [2-fluoranyl-4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] ethanoate Openeye Name: [2-fluoro-4-[5-[4-methylsulfonyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazin-1-yl]sulfonyl-2-thienyl]phenyl] acetate CAS Name: acetic acid [2-fluoro-4-[5-[[4-methylsulfonyl-2-[(2-oxanyloxyamino)-oxomethyl]-1-piperazinyl]sulfonyl]-2-thiophenyl]phenyl] ester IUPAC Name: [2-fluoro-4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl] acetate Traditional Name: acetic acid [2-fluoro-4-[5-[4-mesyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazino]sulfonyl-2-thienyl]phenyl] ester Formula: C23H28FN3O9S3 MolecularWeight: 605.676523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C)F

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C)F

InChI

InChI=1S/C23H28FN3O9S3/c1-15(28)35-19-7-6-16(13-17(19)24)20-8-9-22(37-20)39(32,33)27-11-10-26(38(2,30)31)14-18(27)23(29)25-36-21-5-3-4-12-34-21/h6-9,13,18,21H,3-5,10-12,14H2,1-2H3,(H,25,29)