3-[4-(azepan-1-ylsulfonyl)-5-methyl-thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-5-methyl-thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-5-methyl-2-thienyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[4-(1-azepanylsulfonyl)-5-methyl-2-thiophenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-5-methyl-2-thienyl]-5-(trifluoromethyl)isoxazole Formula: C15H17F3N2O3S2 MolecularWeight: 394.43229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(S1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C15H17F3N2O3S2/c1-10-13(25(21,22)20-6-4-2-3-5-7-20)9-12(24-10)11-8-14(23-19-11)15(16,17)18/h8-9H,2-7H2,1H3