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

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C20H27FN2O7S MolecularWeight: 458.500983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H27FN2O7S/c1-2-29-19(25)7-6-10-22-18(24)14-30-20(26)15-8-9-16(21)17(13-15)31(27,28)23-11-4-3-5-12-23/h8-9,13H,2-7,10-12,14H2,1H3,(H,22,24)