(1S)-1-(benzotriazol-1-yl)-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]pentan-2-one

Systemtic Name: (1S)-1-(benzotriazol-1-yl)-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]pentan-2-one Openeye Name: (1S)-1-(benzotriazol-1-yl)-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]pentan-2-one CAS Name: (1S)-1-(1-benzotriazolyl)-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]-2-pentanone IUPAC Name: (1S)-1-(benzotriazol-1-yl)-1-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]pentan-2-one Traditional Name: (1S)-1-(benzotriazol-1-yl)-1-(1-triflyl-4H-pyridin-4-yl)pentan-2-one Formula: C17H17F3N4O3S MolecularWeight: 414.40209

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1C=CN(C=C1)S(=O)(=O)C(F)(F)F)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC(=O)[C@H](C1C=CN(C=C1)S(=O)(=O)C(F)(F)F)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H17F3N4O3S/c1-2-5-15(25)16(24-14-7-4-3-6-13(14)21-22-24)12-8-10-23(11-9-12)28(26,27)17(18,19)20/h3-4,6-12,16H,2,5H2,1H3/t16-/m0/s1