N-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C18H23FN4O4S MolecularWeight: 410.463023

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCC#N)C(=O)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN4O4S/c1-22(10-2-9-20)17(24)13-21-18(25)14-7-11-23(12-8-14)28(26,27)16-5-3-15(19)4-6-16/h3-6,14H,2,7-8,10-13H2,1H3,(H,21,25)