4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole

Systemtic Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-(4-fluorophenyl)oxazole CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-(4-fluorophenyl)oxazole IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole Traditional Name: 4-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-2-(4-fluorophenyl)oxazole Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=COC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=COC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S2/c22-17-7-5-16(6-8-17)21-24-18(14-28-21)15-29-20-10-9-19(13-23-20)30(26,27)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12,15H2