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

Systemtic Name: ethyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(4-fluorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5S/c1-2-30-22(27)18-4-3-5-20(14-18)24-21(26)17-10-12-25(13-11-17)31(28,29)15-16-6-8-19(23)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,24,26)