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

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S/c1-28-20(25)15-3-2-4-17(13-15)22-19(24)14-9-11-23(12-10-14)29(26,27)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,22,24)