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

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-chloro-4-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=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl

InChI

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