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

Systemtic Name: methyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-fluorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-29-21(26)17-3-2-4-19(13-17)23-20(25)16-9-11-24(12-10-16)30(27,28)14-15-5-7-18(22)8-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)