(3S)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(dimethylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(dimethylamino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C16H22FN3O4S MolecularWeight: 371.426983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C(=O)CNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FN3O4S/c1-19(2)15(21)10-18-16(22)12-4-3-9-20(11-12)25(23,24)14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,22)/t12-/m0/s1