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

Systemtic Name: methyl 2-chloranyl-5-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[1-(2-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=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)Cl

InChI

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