methyl 4-chloranyl-3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

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