N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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