methyl 1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H26ClFN2O5S MolecularWeight: 460.947243

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClFN2O5S/c1-29-19(26)20(9-3-2-4-10-20)23-18(25)14-7-11-24(12-8-14)30(27,28)15-5-6-17(22)16(21)13-15/h5-6,13-14H,2-4,7-12H2,1H3,(H,23,25)