N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O3S/c22-20-4-2-1-3-18(20)15-29(27,28)25-13-10-17(11-14-25)21(26)24-19-7-5-16(6-8-19)9-12-23/h1-8,17H,9-11,13-15H2,(H,24,26)