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

Systemtic Name: methyl 2-[4-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-chloro-2-fluoro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4-chloro-2-fluoroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chloro-2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-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=C(C=C3)Cl)F

Isomeric SMILES

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

InChI

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