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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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