N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-acetamido-2-fluoro-phenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-acetamido-2-fluorophenyl)-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-acetamido-2-fluorophenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-acetamido-2-fluoro-phenyl)-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21FN4O4S/c1-14(27)24-17-4-7-19(22)20(12-17)25-21(28)16-8-10-26(11-9-16)31(29,30)18-5-2-15(13-23)3-6-18/h2-7,12,16H,8-11H2,1H3,(H,24,27)(H,25,28)