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

Systemtic Name: N-[4-chloranyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-chloro-1-(2-fluorobenzyl)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=C2Cl)CC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=NN(C=C2Cl)CC3=CC=CC=C3F

InChI

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