N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanyl-propyl]-7-(trifluoromethyl)quinoline-5-sulfonamide

Systemtic Name: N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanyl-propyl]-7-(trifluoromethyl)quinoline-5-sulfonamide Openeye Name: N-[(2R)-3-[(2S)-2-ethyl-1-piperidyl]-2-hydroxy-propyl]-7-(trifluoromethyl)quinoline-5-sulfonamide CAS Name: N-[(2R)-3-[(2S)-2-ethyl-1-piperidinyl]-2-hydroxypropyl]-7-(trifluoromethyl)-5-quinolinesulfonamide IUPAC Name: N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-hydroxypropyl]-7-(trifluoromethyl)quinoline-5-sulfonamide Traditional Name: N-[(2R)-3-[(2S)-2-ethylpiperidino]-2-hydroxy-propyl]-7-(trifluoromethyl)quinoline-5-sulfonamide Formula: C20H26F3N3O3S MolecularWeight: 445.49895

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC(CNS(=O)(=O)C2=CC(=CC3=C2C=CC=N3)C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCCCN1C[C@H](CNS(=O)(=O)C2=CC(=CC3=C2C=CC=N3)C(F)(F)F)O

InChI

InChI=1S/C20H26F3N3O3S/c1-2-15-6-3-4-9-26(15)13-16(27)12-25-30(28,29)19-11-14(20(21,22)23)10-18-17(19)7-5-8-24-18/h5,7-8,10-11,15-16,25,27H,2-4,6,9,12-13H2,1H3/t15-,16-/m0/s1