methyl 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H27FN2O5S MolecularWeight: 426.502183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN2O5S/c1-28-19(25)20(11-3-2-4-12-20)22-18(24)15-9-13-23(14-10-15)29(26,27)17-7-5-16(21)6-8-17/h5-8,15H,2-4,9-14H2,1H3,(H,22,24)