methyl 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(2-chloro-6-fluorophenyl)methyl-methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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