(3R)-N-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[(4-chloranyl-1-ethyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[(4-chloro-1-ethyl-3-pyrazolyl)methyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C18H22ClFN4O3S MolecularWeight: 428.908683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCN1C=C(C(=N1)CNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H22ClFN4O3S/c1-2-23-12-16(19)17(22-23)10-21-18(25)13-4-3-9-24(11-13)28(26,27)15-7-5-14(20)6-8-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,25)/t13-/m1/s1