N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3O4S/c1-14(17-4-3-5-18(12-17)26-15(2)28)25-22(29)16-8-10-27(11-9-16)32(30,31)19-6-7-21(24)20(23)13-19/h3-7,12-14,16H,8-11H2,1-2H3,(H,25,29)(H,26,28)