1-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: 1-[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]pyrrolidine-2-carboxamide Formula: C17H21ClFN3O4S MolecularWeight: 417.882743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C(=O)N

InChI

InChI=1S/C17H21ClFN3O4S/c18-13-10-12(3-4-14(13)19)27(25,26)21-8-5-11(6-9-21)17(24)22-7-1-2-15(22)16(20)23/h3-4,10-11,15H,1-2,5-9H2,(H2,20,23)