1-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzoyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(4-fluoro-3-pyrrolidinosulfonyl-benzoyl)-N-phenyl-nipecotamide Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)F

InChI

InChI=1S/C23H26FN3O4S/c24-20-11-10-17(15-21(20)32(30,31)27-13-4-5-14-27)23(29)26-12-6-7-18(16-26)22(28)25-19-8-2-1-3-9-19/h1-3,8-11,15,18H,4-7,12-14,16H2,(H,25,28)