methyl 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-chloro-6-fluoro-benzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O5S/c1-30-21(27)15-4-2-5-16(12-15)24-20(26)14-8-10-25(11-9-14)31(28,29)13-17-18(22)6-3-7-19(17)23/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)