methyl 2-[4-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-chloranyl-2-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-chloro-2-fluoro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3-chloro-2-fluoroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-chloro-2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-chloro-2-fluoro-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H20ClFN2O5S/c1-29-20(26)14-5-2-3-8-17(14)30(27,28)24-11-9-13(10-12-24)19(25)23-16-7-4-6-15(21)18(16)22/h2-8,13H,9-12H2,1H3,(H,23,25)