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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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