(3S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[1-(4-fluorobenzyl)pyrazol-4-yl]-1-mesyl-nipecotamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O3S/c1-26(24,25)22-8-2-3-14(11-22)17(23)20-16-9-19-21(12-16)10-13-4-6-15(18)7-5-13/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,20,23)/t14-/m0/s1