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

Systemtic Name: (3S)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[1-(2-fluorobenzyl)pyrazol-4-yl]-1-mesyl-nipecotamide Formula: C17H21FN4O3S MolecularWeight: 380.437043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H21FN4O3S/c1-26(24,25)22-8-4-6-14(11-22)17(23)20-15-9-19-21(12-15)10-13-5-2-3-7-16(13)18/h2-3,5,7,9,12,14H,4,6,8,10-11H2,1H3,(H,20,23)/t14-/m0/s1