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

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]-1-mesyl-isonipecotamide Formula: C16H20FN5O3S MolecularWeight: 381.425103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN5O3S/c1-26(24,25)22-7-5-13(6-8-22)15(23)19-16-18-11-21(20-16)10-12-3-2-4-14(17)9-12/h2-4,9,11,13H,5-8,10H2,1H3,(H,19,20,23)