N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-fluorobenzyl)pyrazol-4-yl]-1-mesyl-isonipecotamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H21FN4O3S/c1-26(24,25)22-8-6-13(7-9-22)17(23)20-15-10-19-21(12-15)11-14-4-2-3-5-16(14)18/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23)