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

Systemtic Name: methyl 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(2-chloro-6-fluoro-benzyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

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