[2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[ethyl-[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[ethyl-[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H30FN3O6S MolecularWeight: 471.542803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C21H30FN3O6S/c1-4-24(13-19(26)23-15(2)3)20(27)14-31-21(28)16-8-9-17(22)18(12-16)32(29,30)25-10-6-5-7-11-25/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,23,26)