N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-15(17-5-3-7-20(13-17)25-16(2)27)24-22(28)18-6-4-12-26(14-18)31(29,30)21-10-8-19(23)9-11-21/h3,5,7-11,13,15,18H,4,6,12,14H2,1-2H3,(H,24,28)(H,25,27)