N-(3-chloranyl-4-fluoranyl-phenyl)-1-[3,5-dimethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[3,5-dimethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazol-4-yl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[[3,5-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pyrazolyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[1-(2-keto-2-pyrrolidino-ethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonyl-isonipecotamide Formula: C23H29ClFN5O4S MolecularWeight: 526.023863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCC2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H29ClFN5O4S/c1-15-22(16(2)30(27-15)14-21(31)28-9-3-4-10-28)35(33,34)29-11-7-17(8-12-29)23(32)26-18-5-6-20(25)19(24)13-18/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,26,32)