methyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-chloro-6-fluoro-benzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O5S/c1-30-21(27)15-5-7-16(8-6-15)24-20(26)14-9-11-25(12-10-14)31(28,29)13-17-18(22)3-2-4-19(17)23/h2-8,14H,9-13H2,1H3,(H,24,26)