[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H33FN2O5S MolecularWeight: 456.571223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33FN2O5S/c1-16(2)8-7-9-17(3)24-21(26)15-30-22(27)18-10-11-19(23)20(14-18)31(28,29)25-12-5-4-6-13-25/h10-11,14,16-17H,4-9,12-13,15H2,1-3H3,(H,24,26)