(3S)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-1-mesyl-nipecotamide Formula: C17H20ClFN4O3S MolecularWeight: 414.882103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H20ClFN4O3S/c1-27(25,26)23-8-3-4-12(10-23)17(24)20-16-7-9-22(21-16)11-13-14(18)5-2-6-15(13)19/h2,5-7,9,12H,3-4,8,10-11H2,1H3,(H,20,21,24)/t12-/m0/s1