N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-1,2,4-triazol-3-yl]-1-mesyl-isonipecotamide Formula: C16H19ClFN5O3S MolecularWeight: 415.870163

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=N2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=N2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H19ClFN5O3S/c1-27(25,26)23-7-5-11(6-8-23)15(24)20-16-19-10-22(21-16)9-12-13(17)3-2-4-14(12)18/h2-4,10-11H,5-9H2,1H3,(H,20,21,24)