6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-fluorophenyl)methoxy]benzotriazole

Systemtic Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-fluorophenyl)methoxy]benzotriazole Openeye Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-[(2-fluorophenyl)methoxy]benzotriazole CAS Name: 6-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-1-[(2-fluorophenyl)methoxy]benzotriazole IUPAC Name: 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-fluorophenyl)methoxy]benzotriazole Traditional Name: 6-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-1-(2-fluorobenzyl)oxy-benzotriazole Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=CC=C4F)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC4=CC=CC=C4F)C

InChI

InChI=1S/C20H23FN4O3S/c1-14-9-15(2)12-24(11-14)29(26,27)17-7-8-19-20(10-17)25(23-22-19)28-13-16-5-3-4-6-18(16)21/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-,15-/m1/s1