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

Systemtic Name: (3S)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-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=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN4O3S/c1-27(25,26)23-6-2-3-13(10-23)17(24)21-15-8-20-22(11-15)9-12-4-5-14(19)7-16(12)18/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3,(H,21,24)/t13-/m0/s1