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

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-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=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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