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

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(3-pyridylmethylamino)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-keto-2-(3-pyridylmethylamino)ethyl]nipecotamide Formula: C20H23FN4O4S MolecularWeight: 434.484423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H23FN4O4S/c21-17-5-7-18(8-6-17)30(28,29)25-10-2-4-16(14-25)20(27)24-13-19(26)23-12-15-3-1-9-22-11-15/h1,3,5-9,11,16H,2,4,10,12-14H2,(H,23,26)(H,24,27)/t16-/m0/s1