1-(3-fluorophenyl)carbonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-fluorophenyl)carbonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3-fluorobenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3-fluorophenyl)-oxomethyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-fluorobenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-fluorobenzoyl)-N-(4-pyrrolidinosulfonylphenyl)isonipecotamide Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN3O4S/c24-19-5-3-4-18(16-19)23(29)26-14-10-17(11-15-26)22(28)25-20-6-8-21(9-7-20)32(30,31)27-12-1-2-13-27/h3-9,16-17H,1-2,10-15H2,(H,25,28)