N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-3-yl]-1-mesyl-isonipecotamide Formula: C17H20ClFN4O3S MolecularWeight: 414.882103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=C2)CC3=C(C=C(C=C3)F)Cl

InChI

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