2-[1-[2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanoyl]piperidin-4-yl]oxyguanidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[1-[2-[6-methyl-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyridin-1-yl]ethanoyl]piperidin-4-yl]oxyguanidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[1-[2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridyl]acetyl]-4-piperidyl]oxy]guanidine; 2,2,2-trifluoroacetic acid CAS Name: 2-[[1-[2-[6-methyl-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyridinyl]-1-oxoethyl]-4-piperidinyl]oxy]guanidine; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[1-[2-[3-(benzylsulfonylamino)-6-methyl-2-oxopyridin-1-yl]acetyl]piperidin-4-yl]oxyguanidine; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[1-[2-[3-(benzylsulfonylamino)-2-keto-6-methyl-1-pyridyl]acetyl]-4-piperidyl]oxy]guanidine; 2,2,2-trifluoroacetic acid Formula: C23H29F3N6O7S MolecularWeight: 590.57257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)N2CCC(CC2)ON=C(N)N)NS(=O)(=O)CC3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)N2CCC(CC2)ON=C(N)N)NS(=O)(=O)CC3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H28N6O5S.C2HF3O2/c1-15-7-8-18(25-33(30,31)14-16-5-3-2-4-6-16)20(29)27(15)13-19(28)26-11-9-17(10-12-26)32-24-21(22)23;3-2(4,5)1(6)7/h2-8,17,25H,9-14H2,1H3,(H4,22,23,24);(H,6,7)