[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H29FN2O5S MolecularWeight: 440.528763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN2O5S/c1-16(20(25)23-12-4-2-3-5-13-23)29-21(26)17-10-14-24(15-11-17)30(27,28)19-8-6-18(22)7-9-19/h6-9,16-17H,2-5,10-15H2,1H3