ethyl 2-chloranyl-5-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[1-(4-fluorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClFN2O5S/c1-2-31-22(28)19-13-18(7-8-20(19)23)25-21(27)16-9-11-26(12-10-16)32(29,30)14-15-3-5-17(24)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,25,27)