[2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[5-[2-(methanesulfonamido)ethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]ethyl] ester Formula: C21H25FN2O7S3 MolecularWeight: 532.625803

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25FN2O7S3/c1-33(27,28)23-10-9-16-6-8-19(32-16)18(25)14-31-21(26)15-5-7-17(22)20(13-15)34(29,30)24-11-3-2-4-12-24/h5-8,13,23H,2-4,9-12,14H2,1H3