[2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C21H27FN2O6S MolecularWeight: 454.512283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27FN2O6S/c22-17-10-9-16(13-18(17)31(28,29)24-11-5-2-6-12-24)21(27)30-14-19(25)23-20(26)15-7-3-1-4-8-15/h9-10,13,15H,1-8,11-12,14H2,(H,23,25,26)